SCHEMBL9535097

SCHEMBL9535097

COc1ccc(-n2c(C(=O)Nc3nnn[nH]3)c(OC(C)C)c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
ROCK1 Q13464 1/20 0.39
MPO P05164 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
EDNRA P25101 1/20 0.37
CDK2 P24941 1/20 0.37
FLT3 P36888 1/20 0.37
HTR7 P34969 2/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
PKM P14618 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9535450 0.92 MAPK8 (0.36) PPARGROCK1LMNANPC1RAB9A
SCHEMBL6438548 0.90 KDM4E (0.43) PPARGMPOCYSLTR1EDNRAMAPT
SCHEMBL9535963 0.85 LMNA (0.40) PPARGEDNRALMNAMAPTPKM
SCHEMBL9536287 0.81 KDM4E (0.47) PPARGEDNRAMAPTALDH1A1HPGD
SCHEMBL9535821 0.81 MAPK8 (0.38) PPARGEDNRAMAPK1MAPT
SCHEMBL9539011 0.79 MPO (0.44) MPOCYSLTR1MAPTSMN1; SMN2NPC1
SCHEMBL9535567 0.79 PPARG (0.48) PPARGEDNRAHTR7LMNAMAPK1
SCHEMBL10758409 0.78 PPARG (0.60) PPARGEDNRALMNAMAPT
SCHEMBL9535836 0.78 MEN1 (0.44) PPARGEDNRAMAPTSMN1; SMN2ALDH1A1
SCHEMBL10760702 0.77 MEN1 (0.43) PPARGEDNRAMAPTSMN1; SMN2ALDH1A1

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 5 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 claimed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US claimed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP claimed
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