SCHEMBL6970770

SCHEMBL6970770

CSc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.47
GABRP O00591 3/20 0.47
GABRD O14764 3/20 0.47
GABRA1 P14867 3/20 0.47
GABRB1 P18505 3/20 0.47
GABRG2 P18507 3/20 0.47
GABRB3 P28472 3/20 0.47
GABRA5 P31644 3/20 0.47
GABRA3 P34903 3/20 0.47
GABRA2 P47869 3/20 0.47
GABRB2 P47870 3/20 0.47

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
SCHEMBL6970766 0.81 ALDH1A1 (0.49) PKMMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL18780239 0.78 PKM (0.56) PKMMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL7676239 0.78 NPSR1 (0.56) PKMMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL7821180 0.78 PKM (0.54) PKMMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL16592104 0.77 NPSR1 (0.55) PKMMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL22809569 0.76 PKM (0.52) PKMMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL9768245 0.76 POLB (0.46) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL29953834 0.75 AGBL2 (0.37) PKMMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL7691905 0.75 ALDH1A1 (0.46) PKMMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7671680 0.75 KMT2A (0.51) MEN1KMT2AL3MBTL1CYP1A2CYP2C19

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed