SCHEMBL11402034

SCHEMBL11402034

CN(C(=O)CO)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 7/20 0.52
▸ TACR1 P25103 2/20 0.51
▸ TP53 P04637 2/20 0.47
▸ HSD17B1 P14061 1/20 0.46
▸ HSD17B2 P37059 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ CES2 O00748 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL14955365 0.86 POLQ (0.51) POLQTACR1TP53HSD17B1HSD17B2
SCHEMBL967785 0.85 POLQ (0.50) POLQTACR1TP53HSD17B1HSD17B2
SCHEMBL11406952 0.83 TACR1 (0.60) POLQTACR1CES2
SCHEMBL11174926 0.82 TACR1 (0.50) POLQTACR1TP53HSD17B1HSD17B2
SCHEMBL28141847 0.82 TP53 (0.50) POLQTACR1TP53HSD17B1HSD17B2
SCHEMBL8601016 0.81 TP53 (0.49) POLQTACR1TP53HSD17B1HSD17B2
SCHEMBL10943479 0.81 TP53 (0.49) POLQTACR1TP53HSD17B1HSD17B2
SCHEMBL9357893 0.81 LMNA (0.57) POLQTACR1TP53HSD17B1HSD17B2
SCHEMBL11401944 0.80 POLQ (0.52) POLQTACR1CES2SMN1; SMN2LMNA
SCHEMBL11351438 0.79 GPBAR1 (0.41) CES2ALDH1A1

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-0037938-A1 Substituted acetanilides, process for their preparation and their utilization as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1981-10-21 — — EP disclosed
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