SCHEMBL9537544

SCHEMBL9537544

COC(=O)c1c(O)c2cc(Cl)ccc2n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 19/20 0.56
MAPK9 P45984 2/20 0.56
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL21465564 0.92 MAPK8 (0.47) MAPK8MAPK9KDM4ECYP1A2CYP3A4
SCHEMBL8117298 0.88 MAPK8 (0.49) MAPK8MAPK9KDM4EMAPT
SCHEMBL9539511 0.85 KDM4E (0.58) MAPK8KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9537285 0.84 MAPK8 (0.56) MAPK8MAPK9KDM4ECYP1A2CYP3A4
SCHEMBL27291037 0.83 MAPK8 (0.55) MAPK8MAPK9
SCHEMBL9538268 0.82 MAPK8 (0.52) MAPK8MAPK9KDM4ECYP1A2CYP3A4
SCHEMBL21465642 0.80 PPARG (0.56) MAPK8MAPK9
SCHEMBL21465656 0.78 MAPK8 (0.47) MAPK8MAPK9KDM4EMAPTPKM
SCHEMBL15005391 0.77 ALDH1A1 (0.70) MAPK8KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL12983220 0.77 MAPK8 (0.74) MAPK8MAPK9

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 4 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
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