SCHEMBL28136337

SCHEMBL28136337

Nc1ccc2cccc(C(F)(F)F)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ GAA P10253 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ GLA P06280 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ TRPV1 Q8NER1 2/20 0.47
▸ MAPK1 P28482 1/20 0.44
▸ AR P10275 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CASP1 P29466 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HBB P68871 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PTPRC P08575 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 3/20 0.40

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
SCHEMBL7837604 0.77 CYP2A6 (0.57) TRPV1ARTDP1PTPRCKDM4E
SCHEMBL7837603 0.77 PTPRC (0.41) POLBTRPV1ALDH1A1PTPRCKDM4E
SCHEMBL1161290 0.74 KDM4E (0.53) GAATSHRGLAPOLBTRPV1
SCHEMBL29599325 0.74 KDM4E (0.53) GAATSHRGLAPOLBTRPV1
SCHEMBL25005941 0.74 PTPRC (0.49) GAAPOLBTRPV1PTPRCKDM4E
SCHEMBL1538796 0.74 ESR1 (0.46) GAAPOLBTRPV1ALDH1A1HSD17B10
SCHEMBL689373 0.74 CTDSP1 (0.59) CTDSP1TSHRTRPV1ALDH1A1HSD17B10
SCHEMBL21715759 0.73 TSHR (0.57) CTDSP1GAATSHRGLAPOLB
SCHEMBL29952524 0.73 MGLL (0.49) TRPV1ALDH1A1PTPRCKDM4EMEN1
SCHEMBL28873491 0.73 TRPV1 (0.50) TRPV1ARMEN1KMT2A

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
CN-106536518-A Anthelmintic compounds 梅里亚股份有限公司 2017-03-22 — — CN disclosed
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