SCHEMBL8933494

SCHEMBL8933494

CCOc1cc(C=C2SCN(C)C2=O)cc(-c2sccc2C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.40
ALOX5 P09917 1/20 0.39
FABP4 P15090 1/20 0.39
PPARG P37231 1/20 0.39
PTP4A3 O75365 1/20 0.38
KMT2A Q03164 9/20 0.37
MEN1 O00255 8/20 0.37
MAPT P10636 6/20 0.37
ALDH1A1 P00352 3/20 0.37
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL8537294 0.88 IGF1R (0.38) IGF1RALOX5FABP4PPARGPTP4A3
SCHEMBL8310606 0.82 MAPT (0.56) FABP4PPARGPTP4A3KMT2AMEN1
SCHEMBL8933559 0.82 IGF1R (0.45) IGF1RALOX5KMT2AMEN1MAPT
SCHEMBL8307820 0.79 DYRK1A (0.61) IGF1RKMT2AMEN1MAPTALDH1A1
SCHEMBL8933490 0.79 GAA (0.40) IGF1RALOX5FABP4PPARGPTP4A3
SCHEMBL8991940 0.79 GAA (0.40) IGF1RALOX5FABP4PPARGPTP4A3
SCHEMBL8933462 0.78 FABP4 (0.47) FABP4KMT2AMEN1MAPTALDH1A1
SCHEMBL8933994 0.73 EGFR (0.61) IGF1RALOX5PPARGPTP4A3KMT2A
SCHEMBL8957270 0.73 EGFR (0.61) IGF1RALOX5PPARGPTP4A3KMT2A
SCHEMBL8537140 0.72 MEN1 (0.50) IGF1RALOX5KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022772-A1 METHOD FOR TREATING MULTIPLE SCLEROSIS ELI LILLY AND COMPANY (US) 1996-08-01 WO disclosed
EP-0722729-A2 Aryl-substituted rhodanines for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed