SCHEMBL7530770

SCHEMBL7530770

CCOc1csc(C=O)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
BTK Q06187 1/20 0.33
LMNA P02545 2/20 0.33
MAPK8 P45983 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ELANE P08246 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2642787 0.72
SCHEMBL1711643 0.71
SCHEMBL2642795 0.71
SCHEMBL2642792 0.71
SCHEMBL2642786 0.71
SCHEMBL2642249 0.71
SCHEMBL1431276 0.69 RAB9A (0.60) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL16542576 0.68 SMN1; SMN2 (0.42) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL2642506 0.68 AOC3 (0.36) CYP19A1FFAR4ALDH1A1BTKMAPK8
SCHEMBL2642504 0.68 CYP19A1 (0.34) CYP19A1FFAR4BTKMAPK8MAPT

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
EP-1196401-A1 METHOD FOR PRODUCING 2-AMINOMETHYL-4-CYANO-THIAZOL BASF AKTIENGESELLSCHAFT (DE) 2002-04-17 EP disclosed
WO-2001007425-A1 METHOD FOR PRODUCING 2-AMINOMETHYL-4-CYANO-THIAZOL BASF AKTIENGESELLSCHAFT (DE) 2001-02-01 WO disclosed