SCHEMBL9441964

SCHEMBL9441964

O=C(O)c1cc(S)c2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGFBP3 P17936 2/20 0.44
SLC6A2 P23975 1/20 0.42
P2RY14 Q15391 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.40
MAP2K4 P45985 1/20 0.40
MAPK6 Q16659 1/20 0.40
MAPKAPK5 Q8IW41 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
PARP1 P09874 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGER1 P34995 1/20 0.40
DHODH Q02127 2/20 0.40
MEN1 O00255 1/20 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
SCHEMBL2904601 0.85 IGFBP3 (0.50) IGFBP3SLC6A2P2RY14KDM4EALDH1A1
SCHEMBL9441975 0.81 ALOX15 (0.39) IGFBP3ALDH1A1DHODHKMO
SCHEMBL8337206 0.78 DHODH (0.43) IGFBP3ALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL9441961 0.78 MCL1 (0.43) IGFBP3KDM4EALDH1A1MEN1KMT2A
SCHEMBL31329134 0.78 MGAM (0.53) IGFBP3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4307200 0.78 MGAM (0.53) IGFBP3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16759794 0.77 ALOX15 (0.46) IGFBP3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14578175 0.77 ALOX15 (0.58) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL30120650 0.77 KDM4E (0.49) IGFBP3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28496945 0.77 KDM4E (0.49) IGFBP3KDM4EALDH1A1HPGDHSD17B10

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
US-5250541-A Neurological disorders FIDIA S.P.A. (IT) 1993-10-05 US disclosed