SCHEMBL28076408

SCHEMBL28076408

NC(=O)c1ccc([C@@H](CO)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
PARP1 P09874 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PLA2G10 O15496 1/20 0.53
PLA2G2A P14555 1/20 0.53
OPRD1 P41143 1/20 0.50
PARP10 Q53GL7 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
PARP15 Q460N3 1/20 0.44
MKNK1 Q9BUB5 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
SCHEMBL3714973 0.83 CYP2C19 (0.54) RECQLPOLBCYP3A4PARP1MAPT
SCHEMBL649489 0.82 TDP1 (0.62) RECQLPOLBCYP3A4PARP1MAPT
SCHEMBL28312400 0.82 TDP1 (0.62) RECQLPOLBCYP3A4PARP1MAPT
SCHEMBL3020894 0.80 POLB (0.60) RECQLPOLBCYP3A4PARP1MAPT
SCHEMBL10693090 0.80 POLB (0.60) RECQLPOLBCYP3A4PARP1MAPT
SCHEMBL28856431 0.79 PLA2G10 (0.61) RECQLPOLBCYP3A4PARP1MAPT
SCHEMBL25369373 0.79 PLA2G2A (0.40) RECQLPOLBCYP3A4PARP1MAPT
SCHEMBL193835 0.78 HTR2A (0.52) TSHRTDP1L3MBTL1CYP2D6
Acetic Acid SCHEMBL28538311 0.77 MTNR1A (0.52) POLBKMT2ACYP2D6
Ammonia Solution, Strong SCHEMBL28352255 0.76 HTR2A (0.50) TSHRTDP1L3MBTL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105658646-B Aminoheteroaryl benzamide as kinase inhibitor 诺华股份有限公司 2018-11-27 CN disclosed
CN-105658646-A Aminoheteroaryl benzamides as kinase inhibitors 诺华股份有限公司 2016-06-08 CN disclosed