SCHEMBL9602018

SCHEMBL9602018

CCc1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
AURKA O14965 1/20 0.57
ABL1 P00519 1/20 0.57
NTRK1 P04629 1/20 0.57
LCK P06239 1/20 0.57
CSF1R P07333 1/20 0.57
RET P07949 1/20 0.57
MET P08581 1/20 0.57
PDGFRB P09619 1/20 0.57
PIM1 P11309 1/20 0.57
PDGFRA P16234 1/20 0.57
FLT3 P36888 1/20 0.57
MAPK8 P45983 1/20 0.57
CDK8 P49336 1/20 0.57
MAP2K1 Q02750 1/20 0.57
MAP4K2 Q12851 1/20 0.57
ROCK1 Q13464 1/20 0.57
NTRK3 Q16288 1/20 0.57

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
SCHEMBL3823318 0.89 RAB9A (0.53) NPC1RAB9ASMN1; SMN2AURKAABL1
SCHEMBL803150 0.88 RAB9A (0.69) NPC1RAB9ASMN1; SMN2AURKAABL1
SCHEMBL8452469 0.84 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2AURKAABL1
SCHEMBL12684741 0.83 RAB9A (0.63) NPC1RAB9ASMN1; SMN2AURKAABL1
SCHEMBL10561342 0.83 SMN1; SMN2 (0.63) NPC1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL15304176 0.82 RAB9A (0.58) NPC1RAB9ASMN1; SMN2AURKAABL1
SCHEMBL4796772 0.82 RAB9A (0.71) NPC1RAB9ASMN1; SMN2AURKAABL1
SCHEMBL21035639 0.81 CYP11B1 (0.54) NPC1RAB9ASMN1; SMN2AURKAABL1
SCHEMBL2216313 0.81 FYN (0.56) NPC1RAB9ASMN1; SMN2AURKAABL1
SCHEMBL4943133 0.81 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2TP53L3MBTL1

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
JP-62138471-A None JP disclosed
US-5262084-A Visual aids CHISSO CORPORATION (JP) 1993-11-16 US disclosed
EP-0364588-B1 LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1993-02-10 EP disclosed
JP-S62138471-A PYRIDINE DERIVATIVE CHISSO CORP 1987-06-22 JP disclosed