SCHEMBL9537498

SCHEMBL9537498

COc1ccc2c(c1)c(OCc1ccccc1)c(C(=O)Nc1nnn[nH]1)n2-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
EDNRA P25101 2/20 0.41
EDNRB P24530 1/20 0.41
LRRK2 Q5S007 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
MMP13 P45452 1/20 0.38
MAPK8 P45983 2/20 0.38
AKR1C3 P42330 1/20 0.38
GSK3B P49841 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PLA2G2A P14555 1/20 0.37
SCD O00767 1/20 0.37
MET P08581 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL9535836 0.91 MEN1 (0.44) KDM4EMAPTHTTEDNRAMEN1
SCHEMBL10760702 0.90 MEN1 (0.43) KDM4EMAPTHTTEDNRAMEN1
SCHEMBL10760718 0.90 MEN1 (0.43) KDM4EMAPTHTTEDNRAMEN1
SCHEMBL9536287 0.90 KDM4E (0.47) KDM4EMAPTHTTEDNRAMEN1
SCHEMBL11022324 0.90 KDM4E (0.42) KDM4EMAPTHTTEDNRAMEN1
SCHEMBL9535059 0.88 ALDH1A1 (0.38) KDM4EMAPTALDH1A1MAPK8SMN1; SMN2
SCHEMBL9537135 0.88 KDM4E (0.41) KDM4EMAPTHTTEDNRAMEN1
SCHEMBL9535878 0.88 KDM4E (0.41) KDM4EMAPTHTTEDNRAMEN1
SCHEMBL6438548 0.86 KDM4E (0.43) KDM4EMAPTHTTEDNRAMEN1
SCHEMBL9535102 0.84 KDM4E (0.44) KDM4EMAPTHTTEDNRAMEN1

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 2 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