SCHEMBL565986

SCHEMBL565986

O=C(O)c1ccc(I)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HA1 P13674 3/20 0.61
P4HTM Q9NXG6 2/20 0.61
MIF P14174 1/20 0.59
GABRP O00591 1/20 0.57
GABRD O14764 1/20 0.57
GABRA1 P14867 1/20 0.57
GABRB1 P18505 1/20 0.57
GABRG2 P18507 1/20 0.57
GABRB3 P28472 1/20 0.57
GABRA5 P31644 1/20 0.57
GABRA3 P34903 1/20 0.57
GABRA2 P47869 1/20 0.57
GABRB2 P47870 1/20 0.57
GABRA4 P48169 1/20 0.57
GABRE P78334 1/20 0.57
GABRA6 Q16445 1/20 0.57
GABRG1 Q8N1C3 1/20 0.57
GABRG3 Q99928 1/20 0.57
GABRQ Q9UN88 1/20 0.57
NAPRT Q6XQN6 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Iodide SCHEMBL8041222 0.96 P4HA1 (0.57) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL27909687 0.84 RXFP1 (0.44) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL14224160 0.84 MKNK1 (0.53) TPMTTP53TSHR
SCHEMBL7319095 0.80 NAPRT (0.45) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL8219501 0.80 KCNJ1 (0.46) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL20255463 0.80 NNMT (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25574596 0.79 RXRA (0.49) P4HA1P4HTMMIFMAPT
SCHEMBL25574454 0.79 ALDH1A1 (0.46) P4HA1P4HTMALDH1A1TPMTTP53
SCHEMBL68560 0.76 P4HTM (1.00) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL29397057 0.76 P4HTM (1.00) P4HA1P4HTMMIFGABRPGABRD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 163 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788482-B1 METHOD FOR PREPARING ESTERS OF HALONICOTINIC ACIDS ALLERGAN INC (US) 2004-01-02 EP claimed
US-5659042-A Method for preparing esters of halonicotinic acids ALLERGAN (US) 1997-08-19 US claimed
EP-0788482-A1 METHOD FOR PREPARING ESTERS OF HALONICOTINIC ACIDS Allergan (US) 1997-08-13 EP claimed
WO-1996012701-A1 METHOD FOR PREPARING ESTERS OF HALONICOTINIC ACIDS ALLERGAN (US) 1996-05-02 WO claimed
EP-3632910-B1 3,4-DIHYDROQUINOLINONES AS FXR RECEPTOR AGONISTS CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2024-07-17 EP disclosed
WO-2024131942-A1 CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海深势唯思科技有限责任公司 2024-06-27 WO disclosed
CN-118239959-A Cyclopropane TLR7 and 8 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed
CN-117720541-A Substituted 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-ones 里科瑞尔姆IP控股有限责任公司 2024-03-19 CN disclosed
CN-117285532-A Substituted 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-ones 里科瑞尔姆IP控股有限责任公司 2023-12-26 CN disclosed
CN-111902413-B Substituted 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-ones 里科瑞尔姆IP控股有限责任公司 2023-10-17 CN disclosed
WO-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
WO-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
US-5264578-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN, INC. (US) 1993-11-23 US disclosed
WO-1993016068-A1 DISUBSTITUTED ACETYLENES BEARING HETEROBICYCLIC GROUPS AND HETEROAROMATIC OR PHENYL GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC. (US) 1993-08-19 WO disclosed
US-5118694-A Hypotensive agents; treatment for cardiovascular and muscular disorders HOFFMANN-LA ROCHE INC. (US) 1992-06-02 US disclosed
US-4971982-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-11-20 US disclosed
CN-1030582-A 1-benzopyran derivatives HOFFMANN LA ROCHE (CH) 1989-01-25 CN disclosed
US-4046768-A 1-Thiazolyl-5-pyridylcarbonyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1977-09-06 US disclosed
US-4045446-A 1-Benzothiazolyl-5-pyridylcarbonyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1977-08-30 US disclosed
US-4033753-A HERICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-07-05 US disclosed