SCHEMBL255979

SCHEMBL255979

Ic1nnc(-c2cccnc2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
RAB9A P51151 3/20 0.55
NPC1 O15118 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP2A6 P11509 5/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 1/20 0.50
HSD17B10 Q99714 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP19A1 P11511 2/20 0.46
AXL P30530 1/20 0.46
PBRM1 Q86U86 1/20 0.46

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
SCHEMBL1424931 0.86 KDM4E (0.75) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL255577 0.79 KDM4E (0.66) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL30803985 0.79 KDM4E (0.66) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL12278703 0.79 KDM4E (0.66) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL16847023 0.78 ALDH1A1 (0.52) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL170969 0.78 KDM4E (1.00) KDM4ESMN1; SMN2RAB9ANPC1MEN1
Bromide SCHEMBL162182 0.78 KDM4E (0.64) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL970073 0.78 KDM4E (0.64) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL174599 0.78 KDM4E (0.64) KDM4ESMN1; SMN2RAB9ANPC1MEN1
SCHEMBL30396089 0.78 KDM4E (0.64) KDM4ESMN1; SMN2RAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed