SCHEMBL28035804

SCHEMBL28035804

O=C1C=CC(=O)N1Nc1cccc2c1ccc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
PAX8 Q06710 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL27381135 0.90 KDM4E (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19TP53
SCHEMBL28154306 0.79 ALDH1A1 (0.49) TDP1ALDH1A1CYP1A2HPGDMEN1
SCHEMBL6541282 0.73 HPRT1 (0.64) HPRT1TDP1PAX8ALDH1A1CYP1A2
SCHEMBL9572742 0.73 HPRT1 (0.64) HPRT1TDP1PAX8ALDH1A1CYP1A2
SCHEMBL28075355 0.72 MEN1 (0.53) TDP1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL718219 0.71 TDP1 (0.62) HPRT1TDP1PAX8ALDH1A1CYP1A2
SCHEMBL27461122 0.71 CYP1A2 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19TP53
SCHEMBL21645599 0.71 HPRT1 (0.61) HPRT1TDP1PAX8ALDH1A1TP53
SCHEMBL8133929 0.70 KEAP1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19TP53
SCHEMBL7003239 0.70 HPRT1 (0.58) HPRT1TDP1PAX8ALDH1A1CYP1A2

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
CN-105026445-A Acrylic copolymer, optical film, polarizing plate and liquid crystal display device UNIV KEIO 2015-11-04 CN disclosed