SCHEMBL11242443

SCHEMBL11242443

O=C(Nc1ccccc1)OC(c1cccnc1)C(Cl)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
CHRNA7 P36544 1/20 0.45
EPHX2 P34913 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NAMPT P43490 5/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.41
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11244521 0.83 POLB (0.39) MEN1KMT2ACYP3A4KDM4EHTT
SCHEMBL11248372 0.80 PLOD2 (0.44) EPHX2KMT2ACYP2C9CYP3A4CYP2C19
SCHEMBL11228700 0.78 ALDH1A1 (0.45) CYP3A4HTTSMN1; SMN2
SCHEMBL11241260 0.75 LMNA (0.43) HTTSMN1; SMN2
SCHEMBL11252785 0.74 SMN1; SMN2 (0.48) RAB9ANPC1MEN1KMT2AHTT
SCHEMBL11235465 0.73 GAA (0.47) RAB9ANPC1KMT2AKDM4EHTT
SCHEMBL11233129 0.73 TSHR (0.41) KDM4EHTTCFTRGOPCSMN1; SMN2
SCHEMBL11236544 0.73 KCNA5 (0.43) SMN1; SMN2
SCHEMBL11242002 0.72 ALDH1A1 (0.40) MEN1KMT2ACYP2C9CYP3A4CYP2C19
SCHEMBL11238290 0.72 CYP3A4 (0.44) NPC1CYP3A4CFTR

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
US-4339455-A 1-(3-Pyridyl)-2,2,2-trihaloethyl compounds and fungicidal compositions containing the same CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1982-07-13 US disclosed
US-4189486-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1980-02-19 US disclosed