SCHEMBL11137403

SCHEMBL11137403

CCNC(=S)NC(=N)Nc1c(C)cccc1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 5/20 0.45
ALOX12 P18054 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 4/20 0.43
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
ALPL P05186 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL11142804 0.90 ALDH1A1 (0.40) POLBATMALDH1A1ALOX12SMN1; SMN2
SCHEMBL11133359 0.90 GAA (0.54) POLBATMALDH1A1ALOX12SMN1; SMN2
SCHEMBL11052356 0.88 POLB (0.51) POLBATMALDH1A1ALOX12SMN1; SMN2
SCHEMBL11266711 0.85 MAPT (0.41) POLBATMALDH1A1ALOX12SMN1; SMN2
SCHEMBL11054397 0.85 LMNA (0.51) POLBATMALDH1A1ALOX12SMN1; SMN2
SCHEMBL11133485 0.84 LMNA (0.45) POLBATMALDH1A1ALOX12SMN1; SMN2
SCHEMBL11141083 0.84 POLB (0.44) POLBATMALDH1A1ALOX12SMN1; SMN2
SCHEMBL11142824 0.84 ALOX12 (0.61) POLBALDH1A1ALOX12SMN1; SMN2GAA
SCHEMBL6097794 0.83 POLB (0.60) POLBATMALDH1A1ALOX12SMN1; SMN2
SCHEMBL11137110 0.83 CACNA1C (0.51) ALDH1A1ALOX12SMN1; SMN2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4418209-A ANTIULCER, ANTIARRYTHMIC, ANTIDIARRHEAL, ANTISPASMODIC, ANTIPARASITIC, AND ANTISECRETORY AGENTS WILLIAM H. RORER, INC. (US) 1983-11-29 US disclosed