SCHEMBL4345200

SCHEMBL4345200

O=Cc1c(OCc2ccccc2)ccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 1.00
MAPT P10636 5/20 1.00
RAB9A P51151 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
NPSR1 Q6W5P4 4/20 0.65
HTT P42858 3/20 0.65
HPGD P15428 2/20 0.65
LMNA P02545 2/20 0.65
GAA P10253 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 4/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 4/20 0.54
XBP1 P17861 1/20 0.54

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
SCHEMBL29227142 0.88 NPC1 (0.79) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL29227127 0.88 MAPT (0.79) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL10902286 0.88 NPC1 (0.79) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL30679624 0.88 MAPT (0.79) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL29227155 0.88 MAPT (0.79) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL5662106 0.85 NPC1 (0.73) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL31573995 0.85 MAPT (0.73) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL31573986 0.85 RAB9A (0.73) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL31573994 0.85 RAB9A (0.73) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL5663499 0.85 NPC1 (0.73) NPC1MAPTRAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946031-A Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors 北京大学 2024-04-30 CN disclosed
WO-2024010732-A1 SMALL MOLECULE INHIBITORS OF GLUTAMINE TRANSPORTER ASCT2 AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-01-11 WO disclosed
EP-2872490-B1 ANTIPROLIFERATIVE BENZO[B]AZEPIN-2-ONES HOFFMANN LA ROCHE (CH) 2018-02-07 EP disclosed
US-9809672-B2 Aromatic resins for underlayers ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2017-11-07 US disclosed
US-9765016-B2 S1P modulating agents BIOGEN MA INC. (US) 2017-09-19 US disclosed
US-9765016-B2 S1P modulating agents BIOGEN MA INC. (US) 2017-09-19 US disclosed
US-9765016-B2 S1P modulating agents BIOGEN MA INC. (US) 2017-09-19 US disclosed
CN-105026360-B S1P conditioning agents 比奥根MA公司 2017-08-25 CN disclosed
CN-104507913-B The antiproliferative ketone of benzo [b] azepine * 2 霍夫曼-拉罗奇有限公司 2017-07-28 CN disclosed
US-9611224-B2 Antiproliferative benzo [B] azepin-2-ones HOFFMANN-LA ROCHE INC. (US) 2017-04-04 US disclosed
EP-0948495-A1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS Amgen Inc., (US) 1999-10-13 EP disclosed
US-5840739-A Thiazoline acid derivatives UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1998-11-24 US disclosed
WO-1998022457-A9 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS 1998-08-20 WO disclosed
WO-1998022457-A1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS AMGEN INC. (US) 1998-05-28 WO disclosed
US-4656126-A HIGH SIGNAL-TO-NOISE RATIOS AND HIGH IMAGE DENSITY FUJI PHOTO FILM CO., LTD. (JP) 1987-04-07 US disclosed
US-4448971-A Hypoglycemic 5-phenyl-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1984-05-15 US disclosed
US-4407811-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1983-10-04 US disclosed
US-4399296-A TRIMETHYLSILYL CYANOHYDRIN INTERMEDIATES PFIZER INC. (US) 1983-08-16 US disclosed
US-4367234-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-01-04 US disclosed
US-4111962-A Certain substituted 2-phenylnaphtho[1,2-b]furane and -[2,1-b]furane STERLING DRUG INC. (US) 1978-09-05 US disclosed