SCHEMBL11615176

SCHEMBL11615176

O=C(Nc1nnc(C(F)(F)F)s1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 8/20 0.59
LMNA P02545 5/20 0.59
POLB P06746 1/20 0.59
NPC1 O15118 7/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
NPSR1 Q6W5P4 3/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
S1PR2 O95136 1/20 0.54
GAA P10253 1/20 0.54
XBP1 P17861 1/20 0.54
HIF1A Q16665 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
TP53 P04637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL11618093 0.86 HTT (0.56) HTTLMNAPOLBNPC1RAB9A
SCHEMBL11617882 0.86 HTT (0.56) HTTLMNAPOLBNPC1RAB9A
SCHEMBL12599390 0.86 HTT (0.63) HTTLMNAPOLBNPC1RAB9A
SCHEMBL3786921 0.83 POLB (0.66) HTTLMNAPOLBNPC1RAB9A
SCHEMBL18620099 0.81 HTT (0.62) HTTLMNAPOLBNPC1RAB9A
SCHEMBL11190347 0.81 HTT (0.59) HTTLMNAPOLBNPC1RAB9A
SCHEMBL14379237 0.79 HTT (0.65) HTTLMNAPOLBNPC1RAB9A
SCHEMBL10892309 0.79 HTT (0.68) HTTLMNAPOLBNPC1RAB9A
SCHEMBL10818236 0.79 HTT (0.59) HTTLMNAPOLBNPC1RAB9A
SCHEMBL8350034 0.77 POLB (0.68) HTTLMNAPOLBNPC1RAB9A

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
US-4092148-A HERBICIDES AIR PRODUCTS AND CHEMICALS, INC. (US) 1978-05-30 US disclosed