SCHEMBL6275380

SCHEMBL6275380

N#Cc1ccc(OCc2ccccc2)c(C2Cc3ccccc3NC2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
TNKS2 Q9H2K2 1/20 0.41
PTGER1 P34995 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
MAOA P21397 2/20 0.40
TDP2 O95551 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
OTUD7B Q6GQQ9 3/20 0.38
IDO1 P14902 2/20 0.38
HTR6 P50406 1/20 0.38
KCNH2 Q12809 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SIRT2 Q8IXJ6 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
SCHEMBL6277518 0.84 PTPN1 (0.46) MAOBTNKS2BRD4CREBBPMAOA
SCHEMBL7121215 0.78 TNKS2 (0.43) MAOBTNKS2PTGER1BRD4CREBBP
SCHEMBL7116577 0.78 TNKS2 (0.43) MAOBTNKS2PTGER1BRD4CREBBP
SCHEMBL6282874 0.75 HTR6 (0.39) MAOBPTGER1TDP2MRGPRX4HTR6
SCHEMBL6278882 0.72 ABCC9 (0.43) BRD4CREBBPIDO1SIRT2
SCHEMBL7413976 0.69 TNKS2 (0.43) MAOBTNKS2PTGER1BRD4CREBBP
SCHEMBL1330628 0.67 MAOB (0.62) MAOBMRGPRX4
SCHEMBL1978691 0.66 MAOB (0.55) MAOBPTGER1MRGPRX4PTGDR2
SCHEMBL7129137 0.66 MAOB (0.58) MAOBPTGER1MAOAMRGPRX4
SCHEMBL1980141 0.66 MAOB (0.58) MAOBPTGER1MRGPRX4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US disclosed
EP-1091955-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-04-18 EP disclosed
WO-1999050263-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed