SCHEMBL9564631

SCHEMBL9564631

CC(=O)Nc1cccc([S])c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
HSD17B10 Q99714 2/20 0.66
CYP1A2 P05177 1/20 0.66
RAB9A P51151 3/20 0.59
POLB P06746 2/20 0.59
NR4A1 P22736 1/20 0.59
NAPRT Q6XQN6 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 2/20 0.53
NQO2 P16083 1/20 0.53
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
MEN1 O00255 1/20 0.51

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
SCHEMBL1901172 0.87 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL7430964 0.81 GPR35 (0.52) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL474709 0.79 KMT2A (0.70) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL7564141 0.79 GAA (0.52) ALDH1A1CYP1A2GAAMAPTKMT2A
SCHEMBL518774 0.79 ALDH1A1 (0.66) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL12133 0.79 HSD17B10 (1.00) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL4714652 0.79 HSD17B10 (0.71) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL1487964 0.79 ALDH1A1 (0.66) ALDH1A1HSD17B10CYP1A2RAB9APOLB
Metacetamol SCHEMBL31195432 0.79 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL30703669 0.79 HSD17B10 (1.00) ALDH1A1HSD17B10CYP1A2RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557035-A2 An ester cleavage process for use with beta-lactams ELI LILLY AND COMPANY (US) 1993-08-25 EP disclosed
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
EP-0163550-B1 MITOMYCIN DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1990-11-22 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
US-4691024-A BACTERICIDES, ANTITUMOR KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1987-09-01 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed
EP-0163550-A2 Mitomycin derivatives, preparation thereof and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1985-12-04 EP disclosed
US-4264495-A EXHIBITING GOOD COLOFASTNESS AND DYEABILITY ON POLYAMIDES AND OTHER FIBERS EASTMAN KODAK COMPANY (US) 1981-04-28 US disclosed
US-4070352-A COLORFAST, SUBLIMATION AND OZONE RESISTANT BLUE AZO DYES FOR POLYAMIDES EASTMAN KODAK COMPANY (US) 1978-01-24 US disclosed