SCHEMBL9876129

SCHEMBL9876129

Cc1cccc2c(-c3ccccc3)ccc-2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
CNR1 P21554 1/20 0.51
ENPP3 O14638 1/20 0.51
PDK2 Q15119 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
ADORA1 P30542 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 1/20 0.46
ADORA2A P29274 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
PTGS2 P35354 1/20 0.44
ESR2 Q92731 1/20 0.44
PGR P06401 1/20 0.44
CHEK1 O14757 1/20 0.44

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
SCHEMBL2922149 0.96 RAB9A (0.52) CNR2CNR1ENPP3PDK2NPC1
SCHEMBL28414965 0.91 ACHE (0.55) CNR2CNR1ENPP3PDK2NPC1
SCHEMBL24689747 0.89 ACHE (0.52) CNR2CNR1ENPP3PDK2NPC1
SCHEMBL30645462 0.88 ENPP3 (0.53) CNR2CNR1ENPP3PDK2NPC1
SCHEMBL20721788 0.86 ABL1 (0.57) CNR2CNR1ENPP3PDK2RAB9A
SCHEMBL22079559 0.85 ENPP3 (0.48) CNR2CNR1ENPP3PDK2NPC1
SCHEMBL5708395 0.85 CNR2 (0.47) CNR2CNR1ENPP3NPC1RAB9A
SCHEMBL10341375 0.83 ESR2 (0.55) CNR2CNR1ENPP3PDK2NPC1
SCHEMBL28399042 0.83 ADORA1 (0.53) CNR2CNR1ENPP3NPC1RAB9A
SCHEMBL21407092 0.83 ADORA1 (0.49) CNR2CNR1ENPP3NPC1RAB9A

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed