SCHEMBL9826348

SCHEMBL9826348

Cc1sc(C(=O)OC(C)C)c(SC(C)C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 4/20 0.41
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 4/20 0.35
RAB9A P51151 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
CA12 O43570 6/20 0.33
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
CA7 P43166 6/20 0.33
CA9 Q16790 6/20 0.33
CA14 Q9ULX7 6/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9825815 0.81 GPR35 (0.45) ALDH1A1HSD17B10KMT2AGPR35
SCHEMBL9826184 0.66 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10374441 0.66 ICAM1 (0.51) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL10407265 0.65 ALDH1A1 (0.57) ALDH1A1HPGDLMNAHSD17B10CYP1A2
SCHEMBL11359017 0.63 ALDH1A1 (0.50) ALDH1A1HPGDLMNAHSD17B10CYP1A2
SCHEMBL31277120 0.63 ALDH1A1 (0.55) ALDH1A1HPGDLMNAHSD17B10CYP1A2
SCHEMBL9826281 0.63 TSHR (0.39) ALDH1A1HPGDLMNAHSD17B10KDM4E
SCHEMBL6920621 0.61 ALDH1A1 (0.44) ALDH1A1HPGDLMNAHSD17B10CYP1A2
SCHEMBL10928844 0.61 ALDH1A1 (0.53) ALDH1A1HPGDLMNAHSD17B10CYP1A2
SCHEMBL17965826 0.61 CA12 (0.52) ALDH1A1HPGDLMNAHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP disclosed
US-4824958-A Process for the preparation of n-1H-tetrazol-5-yl-2-pyrrole carboxamides WARNER-LAMBERT COMPANY (US) 1989-04-25 US disclosed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed