SCHEMBL21376152

SCHEMBL21376152

O=Cc1sc(-c2ccc(Cl)cc2)nc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 4/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
NOTUM Q6P988 2/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2070188 0.80 SMN1; SMN2 (0.56) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL16399400 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL18003327 0.76 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL16398461 0.76 MAPT (0.43) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL18003597 0.75 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL18171975 0.72 RAB9A (0.68) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL18173829 0.72 SMN1; SMN2 (0.55) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL624460 0.71 MAPT (0.44) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL19936638 0.70 AGER (0.43) ALDH1A1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL2557055 0.70 MEN1 (0.42) ALDH1A1KMT2AKDM4EPOLBMAPT

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-3656770-A2 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES Syngenta Participations AG (CH) 2020-05-27 EP disclosed
EP-3286187-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 EP disclosed