SCHEMBL9537285

SCHEMBL9537285

COC(=O)c1c(O)c2ccccc2n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.56
RECQL P46063 1/20 0.53
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP2D6 P10635 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
ALDH1A1 P00352 5/20 0.51
GAA P10253 2/20 0.51
NR4A2 P43354 2/20 0.51
KMT2A Q03164 1/20 0.49
PABPC1 P11940 1/20 0.48
EIF4H Q15056 1/20 0.48
GLA P06280 1/20 0.48

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
SCHEMBL9534703 0.89 MAPT (0.52) MAPK8RECQLKDM4EMAPTHPGD
SCHEMBL11421766 0.84 KMT2A (0.54) MAPK8RECQLKDM4EMAPTHPGD
SCHEMBL15005391 0.84 ALDH1A1 (0.70) MAPK8RECQLKDM4EMAPTHPGD
SCHEMBL9537544 0.84 MAPK8 (0.56) MAPK8KDM4EMAPTHPGDCYP1A2
SCHEMBL9539511 0.84 KDM4E (0.58) MAPK8KDM4EMAPTHPGDCYP1A2
SCHEMBL9538497 0.84 MAPK8 (0.55) MAPK8RECQLKDM4EMAPTHPGD
SCHEMBL13465314 0.84 MAPK8 (0.55) MAPK8RECQLKDM4EMAPTHPGD
SCHEMBL28116309 0.84 ALDH1A1 (0.56) MAPK8RECQLKDM4EMAPTHPGD
SCHEMBL27286578 0.80 MAPK8 (0.55) MAPK8RECQLKDM4EMAPTHPGD
SCHEMBL8112946 0.80 KDM4E (0.48) RECQLKDM4EHPGDHSD17B10ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186367-B1 ACIDIC INDOLE COMPOUNDS AND THEIR USE AS ANTIALLERGY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-03 EP disclosed
CN-1005974-B Process for preparing acid indole compounds 沃纳·兰伯特公司 1989-12-06 CN disclosed
EP-0092380-B1 ANTIALLERGIC 4H-FURO(3,2-B)INDOLES AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-01-20 EP disclosed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US disclosed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP disclosed
US-4596814-A Antiallergens WARNER-LAMBERT COMPANY (US) 1986-06-24 US disclosed
US-4503236-A Antiallergic 4Hfuro[3,2-b]indoles WARNER-LAMBERT COMPANY (US) 1985-03-05 US disclosed
EP-0092380-A2 Antiallergic 4H-furo(3,2-b)indoles and their production WARNER-LAMBERT COMPANY (US) 1983-10-26 EP disclosed