SCHEMBL3377109

SCHEMBL3377109

CCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(C(=O)O)nc2s1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.59
HTR6 P50406 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP8B1 Q9UNU6 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
SCHEMBL1968237 0.93 P2RY12 (0.69) P2RY12HTR6MEN1KMT2ACYP8B1
SCHEMBL1969384 0.91 P2RY12 (0.58) P2RY12HTR6MEN1KMT2AKDM4E
SCHEMBL1970556 0.90 P2RY12 (0.55) P2RY12HTR6MEN1KMT2A
SCHEMBL1971071 0.89 P2RY12 (0.54) P2RY12HTR6MEN1KMT2AKDM4E
SCHEMBL1970557 0.87 P2RY12 (0.54) P2RY12HTR6MEN1KMT2AKDM4E
SCHEMBL1969034 0.87 P2RY12 (0.54) P2RY12HTR6MEN1KMT2ACYP8B1
SCHEMBL1968984 0.86 P2RY12 (0.60) P2RY12HTR6MEN1KMT2AKDM4E
SCHEMBL1968627 0.86 P2RY12 (0.67) P2RY12HTR6MEN1KMT2ACYP8B1
SCHEMBL1970024 0.86 P2RY12 (0.62) P2RY12HTR6MEN1KMT2AKDM4E
SCHEMBL1974607 0.85 P2RY12 (0.55) P2RY12HTR6KDM4E

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
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed