SCHEMBL7458947

SCHEMBL7458947

COc1ccc(S(=O)(=O)N2CCC(Nc3ncnc4cc(N5CCNCC5)c([N+](=O)[O-])cc34)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 7/20 0.46
CNR1 P21554 10/20 0.44
CNR2 P34972 7/20 0.44
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7470513 0.91 CNR1 (0.53) CNR1CNR2LMNA
SCHEMBL7471664 0.90 CNR1 (0.55) CNR1CNR2
SCHEMBL7467371 0.86 NSD2 (0.53) CNR1CNR2KDM4ELMNACYP1A2
SCHEMBL7462115 0.84 PAK1 (0.58)
SCHEMBL7462111 0.84 CYP1A2 (0.40) CNR1CNR2KDM4ELMNACYP1A2
SCHEMBL7459198 0.79 MEN1 (0.53) KDM4ELMNAMAPK1
SCHEMBL7471138 0.78 MAPT (0.45) PKMLMNAMAPK1
SCHEMBL7463150 0.77 CYP1A2 (0.41) CNR1CNR2KDM4ECYP1A2CYP2C19
SCHEMBL7458931 0.77 NSD2 (0.56) CNR1CNR2PKMLMNAMAPK1
SCHEMBL7463135 0.76 CNR1 (0.53) CNR1CNR2KDM4ELMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed