SCHEMBL8973267

SCHEMBL8973267

CCCCCCc1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
GPR84 Q9NQS5 1/20 0.44
DHFR P00374 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP19A1 P11511 6/20 0.40
HSD11B1 P28845 1/20 0.40
GCGR P47871 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL29629123 1.00 KCNH2 (0.50) KCNH2GPR84DHFRCNR1CNR2
SCHEMBL27724619 1.00 KCNH2 (0.50) KCNH2GPR84DHFRCNR1CNR2
SCHEMBL3005573 0.98 KCNH2 (0.47) KCNH2GPR84DHFRCNR1CNR2
SCHEMBL27843948 0.94 KCNH2 (0.41) KCNH2GPR84CNR1CNR2TP53
SCHEMBL30670275 0.90 MTOR (0.38) ADORA3ADORA2A
SCHEMBL535052 0.87 PDE5A (0.44) TP53MAPTSMN1; SMN2ADORA3ADORA2A
Propionitrile SCHEMBL28494017 0.85 CTSK (0.39) KCNH2GPR84CNR1CNR2TP53
SCHEMBL2091417 0.84 POLB (0.33) KCNH2ADORA3ADORA2A
SCHEMBL2093811 0.83 MTOR (0.33) CNR1CNR2ADORA3ADORA2A
SCHEMBL4551953 0.82 PPARA (0.50) KCNH2CYP19A1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6346252-A None JP disclosed
JP-6322551-A None JP disclosed
CN-102236259-A Radiation sensitivity resin composition for display element, interlayer insulation film, protective film and spacer and forming method thereof JSR CORP 2011-11-09 CN disclosed
US-5560785-A TREATING SURFACE WITH SOLUTION OF IMIDAZOLE COMPOUND, COPPER COMPOUND, ZINC COMPOUND, STABILIZERS SHIKOKU CHEMICALS CORPORATION (JP) 1996-10-01 US disclosed
US-5498301-A ON A PRINTED WIRING BOARD, HEAT RESISTANT, MOISTURE RESISTANT, A 2-ARYLIMIDAZOLE, CARBOXYLIC ACID, AMMONIA, WATER SHIKOKU CHEMICALS CORPORATION (JP) 1996-03-12 US disclosed
JP-H06346252-A SURFACE TREATING AGENT FOR COPPER AND COPPER ALLOY SHIKOKU CHEM CORP 1994-12-20 JP disclosed
EP-0627499-A1 Agent for treating surfaces of copper and copper alloys SHIKOKU CHEMICALS CORPORATION (JP) 1994-12-07 EP disclosed
JP-H06322551-A TREATING AGENT FOR COPPER AND COPPER ALLOY SHIKOKU CHEM CORP 1994-11-22 JP disclosed