SCHEMBL7535315

SCHEMBL7535315

C=CC(=O)N(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 3/20 0.46
▸ HSD17B1 P14061 1/20 0.46
▸ HSD17B2 P37059 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.45
▸ CES2 O00748 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ TACR1 P25103 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLQ O75417 1/20 0.42
▸ BTK Q06187 4/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL26217559 0.88 EGFR (0.45) EGFRALDH1A1TP53HSD17B1HSD17B2
SCHEMBL11174926 0.81 TACR1 (0.50) ALDH1A1TP53HSD17B1HSD17B2RXFP1
SCHEMBL28141847 0.81 TP53 (0.50) ALDH1A1TP53HSD17B1HSD17B2RXFP1
SCHEMBL11756402 0.80 BTK (0.46) CES2BTK
SCHEMBL10943479 0.80 TP53 (0.49) ALDH1A1TP53HSD17B1HSD17B2RXFP1
SCHEMBL8601016 0.80 TP53 (0.49) ALDH1A1TP53HSD17B1HSD17B2RXFP1
SCHEMBL514284 0.79 HSD17B1 (0.48) ALDH1A1TP53HSD17B1HSD17B2RXFP1
SCHEMBL19890630 0.78 HSD17B1 (0.51) TP53HSD17B1HSD17B2SMN1; SMN2BTK
SCHEMBL15088204 0.78 ALDH1A1 (0.53) ALDH1A1HSD17B1HSD17B2BTK
SCHEMBL11402034 0.77 POLQ (0.52) ALDH1A1TP53HSD17B1HSD17B2RXFP1

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-2002034251-A1 TREATMENT OF ASTHMA WITH LFM ANALOGUES PARKER HUGHES INSTITUTE (US) 2002-05-02 — — WO disclosed
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