SCHEMBL9851445

SCHEMBL9851445

Cc1nc2ncccc2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.53
AGTR2 P50052 4/20 0.53
AGT P01019 2/20 0.42
BRD4 O60885 2/20 0.39
P2RX7 Q99572 2/20 0.39
TNF P01375 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GALR3 O60755 2/20 0.36
NR2F2 P24468 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EDNRA P25101 1/20 0.35

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
SCHEMBL9851420 0.90 AGTR1 (0.55) AGTR1AGTR2AGTBRD4P2RX7
SCHEMBL9851410 0.88 AGTR1 (0.64) AGTR1AGTR2AGT
SCHEMBL9851456 0.86 AGTR1 (0.52) AGTR1AGTR2AGTBRD4P2RX7
SCHEMBL9851481 0.80 AGTR1 (0.54) AGTR1AGTR2AGTBRD4
SCHEMBL1413257 0.79 AGTR1 (0.53) AGTR1AGTR2AGTKDM4ECYP2C9
SCHEMBL9402014 0.79 AGTR1 (0.57) AGTR1AGTR2AGTCYP1A2CYP2C9
SCHEMBL9702222 0.78 AGTR1 (0.57) AGTR1AGTR2AGTP2RX7KDM4E
SCHEMBL9851487 0.78 AGTR1 (0.63) AGTR1AGTR2AGT
SCHEMBL9851520 0.77 AGTR1 (0.57) AGTR1AGTR2AGT
SCHEMBL9854421 0.77 AGTR1 (0.62) AGTR1AGTR2AGT

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