SCHEMBL9535709

SCHEMBL9535709

CCN(CC)c1c(C(=O)Nc2nnn[nH]2)n(-c2ccccc2)c2ccc(OC)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 1/20 0.42
EDNRA P25101 2/20 0.40
MAPK8 P45983 8/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
AKR1C3 P42330 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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
SCHEMBL9536287 0.85 KDM4E (0.47) KDM4EMAPTHTTEDNRAMAPK8
SCHEMBL9535836 0.85 MEN1 (0.44) KDM4EMAPTHTTEDNRAMAPK8
SCHEMBL10760702 0.84 MEN1 (0.43) KDM4EMAPTHTTEDNRAMAPK8
SCHEMBL10760718 0.84 MEN1 (0.43) KDM4EMAPTHTTEDNRAMAPK8
SCHEMBL11022324 0.83 KDM4E (0.42) KDM4EMAPTHTTEDNRAMAPK8
SCHEMBL9535102 0.83 KDM4E (0.44) KDM4EMAPTHTTEDNRAMAPK8
SCHEMBL9534719 0.82 KDM4E (0.44) KDM4EMAPTHTTEDNRAMAPK8
SCHEMBL9537135 0.82 KDM4E (0.41) KDM4EMAPTHTTEDNRAMAPK8
SCHEMBL9535878 0.82 KDM4E (0.41) KDM4EMAPTHTTEDNRAMAPK8
SCHEMBL9537498 0.82 KDM4E (0.44) KDM4EMAPTHTTEDNRAMAPK8

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
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