SCHEMBL23729027

SCHEMBL23729027

CCSc1cc(N)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
BRD4 O60885 1/20 0.32
CRHR1 P34998 2/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
STAT3 P40763 1/20 0.30
STAT1 P42224 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL14677239 0.92 POLB (0.52) POLBCRHR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29431598 0.92 POLB (0.52) POLBCRHR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31194289 0.92 POLB (0.40) POLBBRD4
SCHEMBL15868302 0.88 POLB (0.48) POLBCRHR1ALDH1A1MEN1NPC1
SCHEMBL14684609 0.87 POLB (0.48) POLBCRHR1ALDH1A1MEN1NPC1
SCHEMBL23971584 0.87 POLB (0.50) POLBCRHR1ALDH1A1KDM4EMEN1
SCHEMBL17986660 0.87 POLB (0.48) POLBCRHR1ALDH1A1MEN1NPC1
SCHEMBL24067328 0.87 POLB (0.48) POLBCRHR1ALDH1A1MEN1NPC1
SCHEMBL14676535 0.87 POLB (0.48) POLBCRHR1ALDH1A1MEN1NPC1
SCHEMBL16376049 0.87 POLB (0.48) POLBBRD4CRHR1ALDH1A1SMN1; SMN2

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-3018130-B1 FUSED HETEROCYCLIC COMPOUND AND PEST CONTROL USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-08-04 EP disclosed