SCHEMBL7668642

SCHEMBL7668642

COc1cccc(-c2nc(=O)c3cc(Cl)ccc3[nH]2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
NR1I2 O75469 1/20 0.56
CYP1A2 P05177 1/20 0.56
VDR P11473 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2B6 P20813 1/20 0.56
AHR P35869 1/20 0.56
NR1I3 Q14994 1/20 0.56
AURKA O14965 1/20 0.51
PARP1 P09874 1/20 0.49
PIN1 Q13526 1/20 0.47

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
SCHEMBL7674412 0.90 NR1I2 (0.61) LMNANR1I2CYP1A2VDRCYP2C9
SCHEMBL7665249 0.85 NR1I2 (0.56) LMNANR1I2CYP1A2VDRCYP2C9
SCHEMBL7668615 0.85 NR1I2 (0.72) NR1I2CYP1A2VDRCYP2C9CYP2B6
SCHEMBL7667643 0.83 NR1I2 (0.54) MAPTNR1I2CYP1A2VDRCYP2C9
SCHEMBL7671162 0.82 NR1I2 (0.55) NR1I2CYP1A2VDRCYP2C9CYP2B6
SCHEMBL23758270 0.82 AURKA (0.55) MAPTNR1I2CYP1A2VDRCYP2C9
SCHEMBL7669056 0.80 TUBB4A (0.67) MAPTNR1I2CYP1A2VDRCYP2C9
SCHEMBL31679074 0.80 TP53 (0.65) LMNAMAPTNR1I2CYP1A2VDR
SCHEMBL23736199 0.80 TP53 (0.65) LMNAMAPTNR1I2CYP1A2VDR
SCHEMBL7675227 0.79 TUBB4A (0.66) MAPTNR1I2CYP1A2VDRCYP2C9

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
US-6479499-B1 INHIBITORS OF TUBULIN POLYMERIZATION NATIONAL SCIENCE COUNCIL (TW) 2002-11-12 US disclosed