SCHEMBL11710758

SCHEMBL11710758

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ HTT P42858 7/20 0.50
▸ LMNA P02545 5/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ S1PR2 O95136 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ FFAR2 O15552 1/20 0.42

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
SCHEMBL11704267 0.87 POLB (0.51) POLBHTTLMNANPC1RAB9A
SCHEMBL11589376 0.86 POLB (0.50) POLBHTTLMNANPC1RAB9A
SCHEMBL11705960 0.85 POLB (0.49) POLBHTTLMNANPC1RAB9A
SCHEMBL11626634 0.84 POLB (0.53) POLBHTTLMNANPC1RAB9A
SCHEMBL11708080 0.79 MEN1 (0.53) POLBHTTNPC1RAB9ASMN1; SMN2
SCHEMBL11555660 0.78 POLQ (0.38) —
SCHEMBL11634995 0.77 POLB (0.51) POLBHTTLMNANPC1RAB9A
SCHEMBL10890861 0.76 HTT (0.57) POLBHTTLMNANPC1RAB9A
SCHEMBL11587458 0.76 MEN1 (0.50) POLBNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11707860 0.75 NPSR1 (0.54) POLBLMNANPC1RAB9ASMN1; SMN2

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-4018787-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-04-19 — — US disclosed
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