SCHEMBL933964

SCHEMBL933964

CCC(=O)NCc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 3/20 0.75
EPHX2 P34913 1/20 0.60
NR1H4 Q96RI1 1/20 0.60
PTPN1 P18031 2/20 0.57
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.46
HPGD P15428 3/20 0.45
NAMPT P43490 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
GRIA2 P42262 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL13968784 0.84 PTPRZ1 (0.66) PTPRZ1EPHX2NR1H4PTPN1MAPT
SCHEMBL11081323 0.84 PTPRZ1 (0.69) PTPRZ1EPHX2NR1H4PTPN1MAPT
SCHEMBL935245 0.82 PTPRZ1 (0.52) PTPRZ1EPHX2NR1H4MAPTATM
SCHEMBL22059617 0.80 LMNA (0.56) PTPRZ1EPHX2NR1H4MAPTPOLB
SCHEMBL22060051 0.80 PTPRZ1 (0.64) PTPRZ1EPHX2NR1H4PTPN1MAPT
SCHEMBL934145 0.79 HDAC3 (0.60) EPHX2POLBNAMPTCYP1A2CYP2C9
SCHEMBL2713728 0.77 EPHX2 (0.55) PTPRZ1EPHX2NR1H4PTPN1NAMPT
SCHEMBL1709338 0.76 HPGD (0.70) POLBHPGDLMNA
SCHEMBL6001754 0.76 EPHX2 (0.73) PTPRZ1EPHX2NR1H4PTPN1MAPT
SCHEMBL826020 0.76 KMT2A (0.53) HPGDLMNA

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-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed