SCHEMBL9535836

SCHEMBL9535836

CCOc1c(C(=O)Nc2nnn[nH]2)n(-c2ccccc2)c2ccc(OC)cc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.42
MAPK8 P45983 7/20 0.40
EDNRA P25101 2/20 0.40
PPARG P37231 3/20 0.40
TP53 P04637 2/20 0.40
PPARA Q07869 1/20 0.40
HPGD P15428 1/20 0.38

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
SCHEMBL10760702 0.99 MEN1 (0.43) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL10760718 0.99 MEN1 (0.43) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL11022324 0.93 KDM4E (0.42) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL9536287 0.92 KDM4E (0.47) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL9537135 0.91 KDM4E (0.41) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL9535878 0.91 KDM4E (0.41) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL9537498 0.91 KDM4E (0.44) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6438548 0.88 KDM4E (0.43) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL9535102 0.85 KDM4E (0.44) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL10654966 0.85 KMT2A (0.40) MEN1KMT2AKDM4EMAPTALDH1A1

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