SCHEMBL23934201

SCHEMBL23934201

CC[S+]([O-])c1ccc(C)nc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CRHR1 P34998 1/20 0.30
CSF1R P07333 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL18866473 0.90 POLB (0.41) POLBCRHR1MEN1NPC1ALDH1A1
SCHEMBL23507240 0.90 POLB (0.41) POLB
SCHEMBL14684622 0.87 POLB (0.42) POLBNPC1ALDH1A1CASP3RAB9A
SCHEMBL29431642 0.87 POLB (0.42) POLBNPC1ALDH1A1CASP3RAB9A
SCHEMBL18854919 0.86 BRD4 (0.35)
SCHEMBL23934199 0.86 POLB (0.38) POLB
SCHEMBL22901343 0.84 POLB (0.42) POLBCRHR1MEN1NPC1ALDH1A1
SCHEMBL18506250 0.84 POLB (0.43) POLB
SCHEMBL18506155 0.84 POLB (0.45) POLB
SCHEMBL18866375 0.84 POLB (0.37) POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3896065-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2021-10-20 EP disclosed
EP-3896066-A2 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2021-10-20 EP disclosed