SCHEMBL9851481

SCHEMBL9851481

CCc1nc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.54
AGTR2 P50052 5/20 0.54
AGT P01019 2/20 0.48
LMNA P02545 1/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 2/20 0.42
TBXA2R P21731 1/20 0.41
GPR4 P46093 1/20 0.41
BRD4 O60885 1/20 0.41
ENPP2 Q13822 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL9851487 0.93 AGTR1 (0.63) AGTR1AGTR2AGTLMNATP53
SCHEMBL9854421 0.91 AGTR1 (0.62) AGTR1AGTR2AGTENPP2
SCHEMBL9851456 0.90 AGTR1 (0.52) AGTR1AGTR2AGTLMNATP53
SCHEMBL9402029 0.86 AGTR1 (0.59) AGTR1AGTR2AGTLMNA
SCHEMBL9851420 0.86 AGTR1 (0.55) AGTR1AGTR2AGTBRD4
SCHEMBL9851417 0.81 AGTR1 (0.63) AGTR1AGTR2AGT
SCHEMBL9702222 0.81 AGTR1 (0.57) AGTR1AGTR2AGT
SCHEMBL9586697 0.80 AGTR1 (0.51) AGTR1AGTR2AGTENPP2
SCHEMBL9851423 0.80 AGT (0.60) AGTR1AGTR2AGT
SCHEMBL9851445 0.80 AGTR1 (0.53) AGTR1AGTR2AGTBRD4

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
EP-0434038-A1 Fused imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-26 EP disclosed