SCHEMBL8077274

SCHEMBL8077274

CC1=C(n2ccccc2=O)c2ccc(C(N)=O)cc2OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.39
PARP1 P09874 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC9A1 P19634 1/20 0.33
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 2/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL8077107 0.91 F10 (0.39) F10PARP1PARP15PARP10KDM4E
SCHEMBL8090591 0.90 F10 (0.33) F10SLC9A1
SCHEMBL8084622 0.81 F10 (0.33) F10KDM4EALDH1A1SMN1; SMN2SLC9A1
SCHEMBL8088434 0.81 S100A4 (0.37) F10KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8076894 0.81 KMT2A (0.36) F10KDM4EALDH1A1HSD17B10MEN1
SCHEMBL8085042 0.80 RXFP1 (0.31) ALDH1A1
SCHEMBL8085327 0.79 MAOB (0.37) F10KDM4EALDH1A1
SCHEMBL8085330 0.79 F10 (0.40) F10KDM4EALDH1A1SMN1; SMN2BRD4
SCHEMBL8084217 0.78 ALOX5 (0.40) PARP1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL9737114 0.78 F10 (0.38) F10PARP1PARP15PARP10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed