SCHEMBL3211274

SCHEMBL3211274

Cc1cnc(Cl)c(C(=O)Nc2ncc(Br)cc2Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.34
RAB9A P51151 5/20 0.34
NPC1 O15118 5/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
MEN1 O00255 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SORT1 Q99523 1/20 0.33
KDR P35968 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL3211277 0.82 SMN1; SMN2 (0.40) GAASMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL2436948 0.69 GRM1 (0.45) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL22558695 0.69 NPC1 (0.53) GAASMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL29235222 0.68 KMT2A (0.55) SMN1; SMN2RAB9ANPC1KMT2AKDM4E
SCHEMBL31026874 0.68 KMT2A (0.55) SMN1; SMN2RAB9ANPC1KMT2AKDM4E
SCHEMBL28036249 0.67 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AALDH1A1KDM4EMEN1
SCHEMBL27904171 0.66 POLB (0.50) SMN1; SMN2ALDH1A1POLBCYP2C9CYP2C19
SCHEMBL22585805 0.65 PLAU (0.42) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL15167171 0.65 PLAU (0.46) GAASMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL27580061 0.65 GAA (0.56) GAASMN1; SMN2KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048700-A1 LIQUID FORMULATION OF PYRETHROIDS BAYER CROPSCIENCE AG (DE) 2010-02-25 US disclosed
EP-2099748-A1 INSECTICIDAL BENZAMIDINES Bayer CropScience Aktiengesellschaft (DE) 2009-09-16 EP disclosed
WO-2007131680-A1 INSECTICIDAL BENZAMIDINES BAYER CROPSCIENCE AG (DE) 2007-11-22 WO disclosed