SCHEMBL9535977

SCHEMBL9535977

COc1c(C(=O)Nc2nnn[nH]2)n(C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 2/20 0.39
PABPC1 P11940 1/20 0.39
EIF4H Q15056 1/20 0.39
ESR1 P03372 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL9535963 0.86 LMNA (0.40) KDM4EPKMMAPTLMNAHTT
SCHEMBL9536370 0.83 CCR2 (0.50) ALDH1A1KDM4EKMT2AMAPTATM
SCHEMBL9536147 0.83 HTT (0.44) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL9537569 0.83 HTT (0.44) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL10654943 0.80 KDM4E (0.36) ALDH1A1KDM4EKMT2AHSD17B10HPGD
SCHEMBL9539011 0.78 MPO (0.44) KMT2AMAPTSMN1; SMN2MEN1RAB9A
SCHEMBL9536287 0.76 KDM4E (0.47) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL9535097 0.75 PPARG (0.40) ALDH1A1HPGDPKMMAPTSMN1; SMN2
SCHEMBL9535450 0.75 MAPK8 (0.36) PKML3MBTL1RAB9ANPC1LMNA
SCHEMBL9537126 0.74 MEN1 (0.44) ALDH1A1KDM4EKMT2AHSD17B10PKM

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