SCHEMBL16369484

SCHEMBL16369484

COc1ccnc(C(=O)NC2(C(=O)NCc3ccc(Oc4ccc(OC)cc4CF)cc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 2/20 0.41
RAB9A P51151 2/20 0.40
CSF1R P07333 1/20 0.39
GSK3B P49841 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PYGL P06737 3/20 0.38
PYGM P11217 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
MAPK8 P45983 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP13 P45452 1/20 0.37
RAF1 P04049 1/20 0.37
OPRD1 P41143 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
SCHEMBL765545 0.87 DDR2 (0.44) DDR2RAB9ACSF1RGSK3BL3MBTL1
SCHEMBL10121197 0.81 DDR2 (0.41) DDR2RAB9ACSF1RGSK3BALDH1A1
SCHEMBL765838 0.81 P2RX7 (0.40) DDR2RAB9AL3MBTL1ALDH1A1CYP1A2
SCHEMBL16372048 0.81 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL16369583 0.81 LMNA (0.41) RAB9AL3MBTL1ALDH1A1POLBSMN1; SMN2
SCHEMBL16369475 0.80 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL12238933 0.79 P2RX7 (0.44) RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL16369486 0.75 BDKRB1 (0.51) GSK3BCYP3A4SMN1; SMN2MMP13
SCHEMBL10121524 0.75 BDKRB1 (0.44) GSK3BSMN1; SMN2
SCHEMBL757814 0.75 BDKRB1 (0.42) POLB

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
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed