SCHEMBL8958752

SCHEMBL8958752

C=CCc1nc2cccnc2n1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
LMNA P02545 3/20 0.42
PPARG P37231 1/20 0.41
AGTR1 P30556 2/20 0.40
AGTR2 P50052 2/20 0.40
ENPP2 Q13822 5/20 0.39
TP53 P04637 2/20 0.38
BRD4 O60885 1/20 0.38
TBXA2R P21731 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
CNR1 P21554 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
SCHEMBL8874596 0.88 PPARG (0.53) LMNAPPARGAGTR1AGTR2ENPP2
SCHEMBL9851425 0.84 AGTR1 (0.56) CYP19A1LMNAPPARGAGTR1AGTR2
SCHEMBL7095165 0.82 LMNA (0.54) LMNAAGTR1AGTR2ENPP2TP53
SCHEMBL8566073 0.75 PPARG (0.61) LMNAPPARGAGTR1AGTR2ENPP2
SCHEMBL9854319 0.74 BRD4 (0.53) LMNAPPARGAGTR1AGTR2TP53
SCHEMBL5573395 0.73 CYP19A1 (0.51) CYP19A1PPARGMEN1MAPTKMT2A
SCHEMBL9853637 0.73 PPARG (0.74) LMNAPPARGAGTR1AGTR2ENPP2
SCHEMBL9851543 0.72 AGTR1 (0.66) LMNAPPARGAGTR1AGTR2ENPP2
SCHEMBL8876431 0.72 AGTR1 (0.53) LMNAAGTR1AGTR2ENPP2TP53
SCHEMBL9847866 0.70 AGTR2 (0.56) PPARGAGTR1AGTR2

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-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed