SCHEMBL8973626

SCHEMBL8973626

Clc1ccc(Cc2c[nH]c(-c3ccccc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.55
GABRB2 P47870 1/20 0.55
CXCR2 P25025 2/20 0.43
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 1/20 0.43
TKT P29401 1/20 0.42
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AB1 P08238 1/20 0.41
SCN2A Q99250 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PSD A5PKW4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL17622 0.89 CXCR2 (0.42) GABRA1GABRB2CXCR2NR1H2NR1H3
Hydrochloric Acid SCHEMBL8588873 0.87 CXCR2 (0.41) GABRA1GABRB2CXCR2NR1H2NR1H3
SCHEMBL8973180 0.84 NR1H2 (0.43) GABRA1GABRB2CXCR2NR1H2NR1H3
SCHEMBL28783020 0.84 TAAR1 (0.47) GABRA1GABRB2CXCR2NR1H2NR1H3
SCHEMBL3844900 0.84 GABRA1 (0.48) GABRA1GABRB2NR1H2NR1H3NPC1
SCHEMBL8973308 0.84 GABRA1 (0.43) GABRA1GABRB2CXCR2PSDMAPK1
SCHEMBL8973406 0.81 L3MBTL1 (0.40) GABRA1GABRB2NR1H2NR1H3SMN1; SMN2
SCHEMBL17279789 0.81 SMN1; SMN2 (0.42) GABRA1GABRB2CXCR2NR1H2NR1H3
SCHEMBL27706043 0.81 SRD5A2 (0.44) GABRA1GABRB2NPC1SMN1; SMN2KMT2A
SCHEMBL8973353 0.81 MAPT (0.43) GABRA1GABRB2NPC1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6329635-A None JP 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
EP-0627499-A1 Agent for treating surfaces of copper and copper alloys SHIKOKU CHEMICALS CORPORATION (JP) 1994-12-07 EP disclosed
JP-H06329635-A NEW IMIDAZOLE COMPOUND SHIKOKU CHEM CORP 1994-11-29 JP disclosed