SCHEMBL11851930

SCHEMBL11851930

N#Cc1ccc(C(F)(F)F)cc1N=NNc1cc(C(F)(F)F)ccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.45
▸ KIF11 P52732 2/20 0.39
▸ AR P10275 9/20 0.37
▸ PTPN1 P18031 1/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ CYP2D6 P10635 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL11851924 1.00 TAS2R14 (0.45) TAS2R14KIF11ARPTPN1PTPN6
SCHEMBL11861242 0.83 TAS2R14 (0.43) TAS2R14ARPTPN1PTPN6PTPN11
SCHEMBL11856704 0.83 TAS2R14 (0.52) TAS2R14KIF11ARPTPN1PTPN6
SCHEMBL11861236 0.83 TAS2R14 (0.43) TAS2R14ARPTPN1PTPN6PTPN11
SCHEMBL11856710 0.83 TAS2R14 (0.52) TAS2R14KIF11ARPTPN1PTPN6
SCHEMBL11852621 0.83 KIF11 (0.41) TAS2R14KIF11ARPTPN1PTPN6
SCHEMBL11852613 0.83 KIF11 (0.41) TAS2R14KIF11ARPTPN1PTPN6
SCHEMBL11860522 0.77 TAS2R14 (0.52) TAS2R14PTPN1PTPN6PTPN11ALDH1A1
SCHEMBL11860518 0.77 TAS2R14 (0.52) TAS2R14PTPN1PTPN6PTPN11ALDH1A1
SCHEMBL17197622 0.73 TAS2R14 (0.52) TAS2R14KIF11ARPTPN1PTPN6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3976633-A ANORECTIC, ANTIOBESITY SMITHKLINE CORPORATION (US) 1976-08-24 — — US claimed
US-3976633-A ANORECTIC, ANTIOBESITY SMITHKLINE CORPORATION (US) 1976-08-24 — — US disclosed
US-3976633-A ANORECTIC, ANTIOBESITY SMITHKLINE CORPORATION (US) 1976-08-24 — — US disclosed
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