SCHEMBL3229442

SCHEMBL3229442

O=C(O)Oc1nsc(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL2064238 0.67 HPGD (0.52) HPGDNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3841963 0.67
SCHEMBL9325539 0.67 ALDH1A1 (0.38) HPGDMAPTALDH1A1
SCHEMBL19356871 0.65 MEN1 (0.33) HPGDLMNAMAPTALDH1A1
SCHEMBL11018260 0.64 ALDH1A1 (0.33) HPGDKDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9638346 0.64 NPC1 (0.41) NPC1RAB9ALMNAMAPT
SCHEMBL725505 0.63
SCHEMBL6112098 0.62 HPGD (0.52) HPGDNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL952325 0.61 ALDH1A1 (0.56) HPGDNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9160350 0.61 DAO (0.32)

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
WO-2010009847-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES, METHOD FOR THE PRODUCTION THEREOF, AND USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 WO disclosed
EP-2147919-A1 Heterocyclic substituted amides, method for their manufacture and their use as herbicides Bayer CropScience Aktiengesellschaft (DE) 2010-01-27 EP disclosed