SCHEMBL8307362

SCHEMBL8307362

Cc1cc(C(N)=O)ccc1-n1ccccc1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.47
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
BRD4 O60885 2/20 0.42
ALDH1A1 P00352 2/20 0.42
BRPF1 P55201 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR7 P34969 1/20 0.41
PARP1 P09874 2/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
MYC P01106 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PTPN7 P35236 1/20 0.39
RORC P51449 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37

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
SCHEMBL4688563 0.87 MYC (0.54) F10HSD17B10KDM4EALDH1A1HTR7
SCHEMBL2640132 0.82 F10 (0.59) F10HSD17B10KDM4EBRD4ALDH1A1
SCHEMBL1828212 0.80 PARP1 (0.46) HSD17B10KDM4EBRD4ALDH1A1BRPF1
SCHEMBL18755235 0.78 MAPT (0.47) KDM4EALDH1A1BRPF1SMN1; SMN2ALOX15
SCHEMBL8306577 0.78 NPSR1 (0.47) HSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL4238560 0.76 F10 (0.58) F10HSD17B10PARP1PARP10
SCHEMBL4688126 0.75 F10 (0.61) F10
SCHEMBL4687631 0.75 F10 (0.58) F10
SCHEMBL31637513 0.75 HCAR1 (0.46) F10HSD17B10KDM4EBRD4ALDH1A1
SCHEMBL4591950 0.75 F10 (0.46) F10

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-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed