SCHEMBL9535878

SCHEMBL9535878

CCCCCCCCCOc1c(C(=O)Nc2nnn[nH]2)n(-c2ccccc2)c2ccc(OC)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 1/20 0.40
MAPK8 P45983 5/20 0.38
EDNRA P25101 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PLA2G2A P14555 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 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
SCHEMBL9537135 1.00 KDM4E (0.41) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL11022324 0.95 KDM4E (0.42) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL9535836 0.91 MEN1 (0.44) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL10760702 0.91 MEN1 (0.43) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL10760718 0.91 MEN1 (0.43) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL9536287 0.89 KDM4E (0.47) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL9537498 0.88 KDM4E (0.44) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL6438548 0.84 KDM4E (0.43) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL9538371 0.83 MAPK8 (0.48) KDM4EMAPTHTTMAPK8EDNRA
SCHEMBL9538611 0.83 MAPK8 (0.48) KDM4EMAPTHTTMAPK8EDNRA

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