SCHEMBL9535102

SCHEMBL9535102

COc1ccc2c(c1)c(SC)c(C(=O)Nc1nnn[nH]1)n2-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 1/20 0.44
EDNRA P25101 4/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
MAPK8 P45983 6/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PLA2G2A P14555 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL9536999 0.91 KDM4E (0.43) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL9536074 0.90 KDM4E (0.42) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL9536287 0.88 KDM4E (0.47) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL9535836 0.85 MEN1 (0.44) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL10760702 0.85 MEN1 (0.43) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL10760718 0.85 MEN1 (0.43) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL9534719 0.84 KDM4E (0.44) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL11022324 0.84 KDM4E (0.42) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL9537498 0.84 KDM4E (0.44) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL6438548 0.84 KDM4E (0.43) KDM4EMAPTHTTEDNRAALDH1A1

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-B1 ACIDIC INDOLE COMPOUNDS AND THEIR USE AS ANTIALLERGY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-03 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