SCHEMBL933965

SCHEMBL933965

NC(=O)CCCc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 3/20 0.49
PTPN1 P18031 2/20 0.47
KIF11 P52732 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
FAAH O00519 4/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
CES1 P23141 3/20 0.38
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL935246 0.81 FFAR4 (0.45) PTPRZ1KIF11FAAHLMNAHTT
SCHEMBL9108524 0.81 PTPRZ1 (0.61) PTPRZ1PTPN1KIF11ALDH1A1KDM4E
SCHEMBL10655803 0.78 ALDH1A1 (0.52) PTPRZ1PTPN1KIF11ALDH1A1KDM4E
SCHEMBL6001747 0.78 PTPRZ1 (0.65) PTPRZ1PTPN1KIF11ALDH1A1KDM4E
SCHEMBL934147 0.77 HDAC1 (0.57) PTPN1PTPN2PTPN6PTPN11HDAC3
Hydrochloric Acid SCHEMBL30882461 0.76 HDAC1 (0.55) PTPN1PTPN2PTPN6PTPN11HDAC1
SCHEMBL27597569 0.75 PTPRZ1 (0.53) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL5544527 0.75 PTPRZ1 (0.53) PTPRZ1PTPN1KIF11ALDH1A1KDM4E
SCHEMBL658360 0.74 LMNA (0.54) LMNA
SCHEMBL3630994 0.74 PTPRZ1 (0.57) PTPRZ1PTPN1KIF11ALDH1A1KDM4E

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