SCHEMBL7328126

SCHEMBL7328126

Cc1nc2scc(C)n2c1CO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RCE1 Q9Y256 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
GLA P06280 1/20 0.37
ALOX15 P16050 1/20 0.36
PKM P14618 1/20 0.36
CHEK1 O14757 1/20 0.36
MET P08581 1/20 0.36
LTK P29376 1/20 0.36
CDK9 P50750 1/20 0.36
PRKX P51817 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PTGS2 P35354 2/20 0.35

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
SCHEMBL13012591 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1339346 0.71 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL3697778 0.69 MAPK1 (0.57) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1339119 0.69 MAPK1 (0.57) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9517967 0.69 RXFP1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL7332350 0.68 IDO1 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9702267 0.68 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL10340126 0.68 DYRK1A (0.65) ALDH1A1SMN1; SMN2RXFP1ALOX15PKM
SCHEMBL10462306 0.66 CYP1A2 (0.49) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL10921292 0.66 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463212-A1 Imidazo[2,1-b]thiazole compound anti-ulcer agent containing the same NIKKEN CHEMICALS CO., LTD. (JP) 1992-01-02 EP claimed
US-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US disclosed
EP-0757692-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-12 EP disclosed
WO-1995029922-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-09 WO disclosed
EP-0463212-A1 Imidazo[2,1-b]thiazole compound anti-ulcer agent containing the same NIKKEN CHEMICALS CO., LTD. (JP) 1992-01-02 EP disclosed