SCHEMBL7674286

SCHEMBL7674286

COc1ccc(-c2nc(=O)c3ccccc3[nH]2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.64
PARP1 P09874 3/20 0.56
ALOX5 P09917 1/20 0.53
EPHX2 P34913 1/20 0.53
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
CYP1A1 P04798 2/20 0.51
CYP1B1 Q16678 2/20 0.51
CYP1A2 P05177 2/20 0.51
NPC1 O15118 1/20 0.51
PDGFRB P09619 1/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48

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
SCHEMBL10628281 0.88 GUSB (0.51) GUSBPARP1ALOX5EPHX2CDK4
SCHEMBL11327135 0.88 GUSB (0.51) GUSBPARP1ALOX5EPHX2CDK4
SCHEMBL7673043 0.82 KDM4E (0.64) GUSBPARP1KDM4EALDH1A1HPGD
SCHEMBL38652457 0.82 KDM4E (0.64) GUSBPARP1KDM4EALDH1A1HPGD
SCHEMBL7668615 0.81 NR1I2 (0.72) PARP1KDM4EALDH1A1HPGDCYP1A2
SCHEMBL8618963 0.81 ALDH1A1 (0.56) GUSBPARP1KDM4EALDH1A1HPGD
SCHEMBL7669296 0.81 NR1I2 (0.56) GUSBPARP1KDM4EALDH1A1HPGD
SCHEMBL12470605 0.80 ALOX5 (0.70) GUSBPARP1ALOX5EPHX2KDM4E
SCHEMBL8620408 0.79 NR1I3 (0.54) GUSBPARP1KDM4EALDH1A1HPGD
SCHEMBL7672854 0.79 KDM4E (0.50) GUSBKDM4EALDH1A1HPGDCYP1A2

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