SCHEMBL9955121

SCHEMBL9955121

COc1ccc(CNc2nc3ccc(I)cc3c(=O)n2-c2ccc(C)cc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL9954468 0.91 MEN1 (0.46) MAPTCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL9953016 0.91 CYP3A4 (0.44) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9954787 0.87 MEN1 (0.44) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9953750 0.86 CYP3A4 (0.44) MAPTKDM4ESMN1; SMN2CYP3A4CYP1A2
SCHEMBL9953908 0.84 TP53 (0.47) MAPTKDM4ESMN1; SMN2CYP3A4CYP1A2
SCHEMBL9954475 0.84 MEN1 (0.44) MAPTCYP3A4MEN1KMT2AALDH1A1
SCHEMBL9954480 0.84 L3MBTL1 (0.46) MAPTKDM4ECYP3A4CYP1A2CYP2D6
SCHEMBL9953429 0.84 TP53 (0.45) MAPTSMN1; SMN2CYP3A4CYP1A2CYP2D6
SCHEMBL9955100 0.83 P2RX7 (0.46) MAPTKDM4ECYP3A4CYP1A2CYP2D6
SCHEMBL9955119 0.83 MAPT (0.46) MAPTKDM4ESMN1; SMN2CYP3A4CYP1A2

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
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed