SCHEMBL8534157

SCHEMBL8534157

Cc1cc(CC2SCNC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
CISD1 Q9NZ45 2/20 0.48
MAOB P27338 1/20 0.48
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 7/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
TSHR P16473 4/20 0.34
CYP3A4 P08684 3/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
BLM P54132 2/20 0.34
ATM Q13315 2/20 0.34
HIF1A Q16665 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP2D6 P10635 2/20 0.34
USP2 O75604 1/20 0.34

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
Tazofelone SCHEMBL380266 0.92 ALDH1A1 (0.40) MAOACISD1MAOBCYP1A2CYP2C19
Tazofelone SCHEMBL7561505 0.92 ALDH1A1 (0.40) MAOACISD1MAOBCYP1A2CYP2C19
Tazofelone SCHEMBL7562446 0.92 ALDH1A1 (0.40) MAOACISD1MAOBCYP1A2CYP2C19
SCHEMBL8533710 0.83 HSPA5 (0.40) MAOACISD1MAOBCYP1A2CYP2C19
SCHEMBL8822837 0.82 GAA (0.41) CYP1A2CYP2C19CYP2C9TDP1ALDH1A1
SCHEMBL8537962 0.81 ESRRA (0.38) MAOACISD1MAOBCYP1A2CYP2C9
SCHEMBL8933496 0.78 ALDH1A1 (0.41) CYP1A2CYP2C19CYP2C9ALDH1A1TSHR
SCHEMBL11849338 0.76 CYP1A2 (0.47) MAOACISD1MAOBCYP1A2CYP2C19
SCHEMBL8584107 0.75 MAOA (0.39) MAOACISD1MAOBCYP1A2CYP2C19
SCHEMBL8173779 0.74 CYP3A4 (0.42) MAOACISD1MAOBTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434394-B1 Compounds for treating inflammatory bowel disease LILLY CO ELI (US) 1998-08-05 EP disclosed
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
US-5387690-A Method of treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1995-02-07 US disclosed
US-5216002-A Using benzyl substituted rhodanine derivatives as pure enantiomeric form ELI LILLY AND COMPANY (US) 1993-06-01 US disclosed
US-5158966-A Aryl-substituted rhodanine derivatives THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-10-27 US disclosed
EP-0500337-A1 Composition containing aryl-substituted rhodanine derivatives for the treatment of type I diabetes UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-08-26 EP disclosed
EP-0434394-A2 Compounds for treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1991-06-26 EP disclosed