SCHEMBL255586

SCHEMBL255586

CSCC(C)(N)C(=O)N(C)c1nnc(-c2cncc(F)c2)s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 13/20 0.38
KDM4E B2RXH2 6/20 0.38
TSHR P16473 4/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
S1PR1 P21453 2/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
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
SCHEMBL255641 0.91 HSD17B10 (0.39) HSD17B10KDM4ETSHRRAB9ANPC1
SCHEMBL255062 0.90 HSD17B10 (0.37) HSD17B10KDM4ETSHRRAB9ANPC1
SCHEMBL174520 0.87 HSD17B10 (0.37) HSD17B10KDM4ETSHRRAB9ANPC1
SCHEMBL10247148 0.84 HSD17B10 (0.35) HSD17B10KDM4ETSHRRAB9ANPC1
SCHEMBL255154 0.80 KDM4E (0.46) HSD17B10KDM4ETSHRRAB9ANPC1
SCHEMBL10247135 0.79 HSD17B10 (0.38) HSD17B10KDM4ETSHRRAB9ANPC1
SCHEMBL10246954 0.79 HSD17B10 (0.39) HSD17B10KDM4ETSHRRAB9ANPC1
SCHEMBL255628 0.79 RAB9A (0.40) HSD17B10KDM4ETSHRRAB9ANPC1
SCHEMBL255610 0.78 HSD17B10 (0.38) HSD17B10KDM4ETSHRRAB9ANPC1
SCHEMBL254828 0.78 HSD17B10 (0.39) HSD17B10KDM4ETSHRRAB9ANPC1

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