SCHEMBL8872253

SCHEMBL8872253

Cc1cc(C)c2nc(C3CC3)n(-c3ccc(-c4ccccc4C#N)cc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.43
PPARG P37231 1/20 0.43
AGTR2 P50052 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR3C1 P04150 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA2 P47869 2/20 0.35
ESR2 Q92731 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
TRPA1 O75762 1/20 0.34
ABL1 P00519 1/20 0.34
USP2 O75604 1/20 0.33

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
SCHEMBL9016476 0.85 ESR2 (0.36) AGTR1PPARGAGTR2NR3C1GABRA1
SCHEMBL8872697 0.83 AGTR1 (0.52) AGTR1PPARGAGTR2
SCHEMBL8873723 0.83 ESR2 (0.34) AGTR1PPARGAGTR2NR3C1GABRA1
SCHEMBL9016501 0.83 AGTR1 (0.37) AGTR1AGTR2NR3C1GABRA1GABRG2
SCHEMBL9016415 0.82 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9016428 0.80 PPARG (0.47) AGTR1PPARGAGTR2
SCHEMBL8958794 0.79 AGTR1 (0.47) AGTR1PPARGAGTR2KDM4EALDH1A1
SCHEMBL9016503 0.78 AGTR1 (0.48) AGTR1PPARGAGTR2
SCHEMBL8872236 0.73 AGTR1 (0.69) AGTR1PPARGAGTR2
SCHEMBL9016407 0.73 ALDH1A1 (0.38) AGTR1PPARGAGTR2KDM4EALDH1A1

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
US-5618969-A Intermediates for imidazopyridines EISAI CO., LTD. (JP) 1997-04-08 US disclosed
US-5587504-A Sulfonyloxy-biphenylcarboxylic ester derivatives which are intermediates EISAI CO., LTD. (JP) 1996-12-24 US disclosed
US-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed
US-5554757-A Process for the preparation of imidazopyridine derivatives, and intermediates therefore EISAI CO., LTD. (JP) 1996-09-10 US disclosed