SCHEMBL30177597

SCHEMBL30177597

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MAOB P27338 1/20 0.34
CRHR1 P34998 2/20 0.31
HSD17B10 Q99714 1/20 0.30
AKT1 P31749 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
SCHEMBL17609317 0.96 POLB (0.45) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL31194293 0.93 POLB (0.40) POLB
SCHEMBL29431598 0.92 POLB (0.52) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL14677239 0.92 POLB (0.52) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL25886471 0.92 POLB (0.40) POLB
SCHEMBL31081463 0.92 POLB (0.40) POLB
SCHEMBL25315392 0.88 POLB (0.40) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL30989784 0.88 POLB (0.40) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL15868302 0.88 POLB (0.48) POLBMEN1NPC1ALDH1A1STAT3
SCHEMBL23729027 0.87 POLB (0.48) POLBMEN1NPC1ALDH1A1STAT3

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-4143177-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2023-03-08 EP disclosed
CN-115702149-A Pesticidally active heterocyclic derivatives with sulfur-containing substituents 先正达农作物保护股份公司 2023-02-14 CN disclosed