SCHEMBL3357170

SCHEMBL3357170

CN(C(=O)O)c1nc2cc(F)c(F)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
TP53 P04637 3/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CASP3 P42574 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
WNT3A P56704 1/20 0.40
HTT P42858 3/20 0.40
HTR2C P28335 1/20 0.38
RAD52 P43351 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20570564 0.88 HSD17B1 (0.44) HSD17B1HSD17B2TP53LMNANPC1
SCHEMBL544007 0.77 HTT (0.69) HSD17B1HSD17B2TP53LMNANPC1
SCHEMBL15280046 0.76 NPC1 (0.49) HSD17B1HSD17B2TP53LMNANPC1
SCHEMBL2939270 0.74 NPC1 (0.75) TP53LMNANPC1RAB9ACASP3
SCHEMBL20569819 0.73 ALOX15 (0.41) HSD17B1HSD17B2TP53LMNANPC1
SCHEMBL4502361 0.72 WNT3A (0.42) HSD17B1HSD17B2TP53LMNANPC1
SCHEMBL11732165 0.72 PPARA (0.57) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL28904462 0.71 HSD17B1 (0.48) HSD17B1HSD17B2NPC1RAB9ASMN1; SMN2
SCHEMBL3242673 0.71 TP53 (0.50) TP53LMNANPC1RAB9ACASP3
SCHEMBL15280050 0.70 SMN1; SMN2 (0.43) HSD17B1HSD17B2TP53LMNANPC1

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
EP-2141164-A1 New 1,2,4-triazine derivatives and biological applications thereof Mutabilis (FR) 2010-01-06 EP disclosed