SCHEMBL21929348

SCHEMBL21929348

CCNc1ccc2c(N)noc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
RECQL P46063 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
F9 P00740 2/20 0.45
ELANE P08246 1/20 0.38
AR P10275 2/20 0.38
MAPK14 Q16539 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 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
SCHEMBL24783860 0.83 KDM4E (0.47) KDM4EALDH1A1POLBHPGDCASP1
SCHEMBL7904187 0.79 CYP3A4 (0.47) KDM4EALDH1A1POLBHPGDF9
SCHEMBL22424604 0.79 F9 (0.47) F9MAPK14F7F3LCK
SCHEMBL7902665 0.76 CA12 (0.50) KDM4EALDH1A1F9MAPK14LCK
SCHEMBL12012754 0.76 NOS3 (0.39) KDM4EALDH1A1HPGDHSD17B10F9
SCHEMBL23380205 0.75 F9 (0.47) KDM4EALDH1A1HPGDHSD17B10F9
SCHEMBL9212282 0.74 F9 (0.45) KDM4EALDH1A1HPGDHSD17B10F9
SCHEMBL3885375 0.73 ALDH1A1 (0.54) KDM4EALDH1A1POLBHPGDCASP1
SCHEMBL25124383 0.73 GRM4 (0.47) KDM4EALDH1A1POLBHPGDCASP1
SCHEMBL12545753 0.73 RAB9A (0.56) KDM4EALDH1A1HPGDHSD17B10F9

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
EP-2770998-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-29 EP disclosed