SCHEMBL8973180

SCHEMBL8973180

Brc1ccc(Cc2c[nH]c(-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
DGAT1 O75907 1/20 0.43
MAPK13 O15264 3/20 0.42
GCGR P47871 3/20 0.42
MAPK12 P53778 3/20 0.42
MAPK11 Q15759 3/20 0.42
MAPK14 Q16539 3/20 0.42
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TNKS O95271 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 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
SCHEMBL17622 0.89 CXCR2 (0.42) NR1H2NR1H3GABRA1GABRB2ALDH1A1
Hydrochloric Acid SCHEMBL8588873 0.87 CXCR2 (0.41) NR1H2NR1H3GABRA1GABRB2ALDH1A1
SCHEMBL8973626 0.84 GABRA1 (0.55) NR1H2NR1H3GABRA1GABRB2ALDH1A1
SCHEMBL28783020 0.84 TAAR1 (0.47) NR1H2NR1H3GABRA1GABRB2ALDH1A1
SCHEMBL3844900 0.84 GABRA1 (0.48) NR1H2NR1H3GABRA1GABRB2ALDH1A1
SCHEMBL17279789 0.81 SMN1; SMN2 (0.42) NR1H2NR1H3GABRA1GABRB2ALDH1A1
SCHEMBL27706043 0.81 SRD5A2 (0.44) GABRA1GABRB2ALDH1A1NPC1RAB9A
SCHEMBL7487640 0.78 NPC1 (0.43) GABRA1GABRB2ALDH1A1MAPTTP53
SCHEMBL8973308 0.78 GABRA1 (0.43) MAPK13MAPK12MAPK11MAPK14GABRA1
SCHEMBL9369368 0.76 PNP (0.37) GABRA1GABRB2ALDH1A1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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