SCHEMBL11477158

SCHEMBL11477158

CC(C)NC(=S)N1CCc2ncn(C)c2C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.40
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM5 P41594 1/20 0.35
MAPK1 P28482 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
PDK2 Q15119 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11476261 0.89 LMNA (0.44) LMNAALDH1A1NAMPTMEN1KMT2A
SCHEMBL11516242 0.85 MEN1 (0.43) LMNAALDH1A1NAMPTMEN1KMT2A
SCHEMBL13505997 0.74 NAMPT (0.48) NAMPTGRM5MAPK1PRMT5WDR77
SCHEMBL11516079 0.71 LMNA (0.45) LMNAALDH1A1NAMPTMEN1KMT2A
Hydrochloric Acid SCHEMBL11516834 0.70 LMNA (0.44) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL12563463 0.70 PIK3R1 (0.35) NAMPTGRM5PRMT5WDR77HRH3
SCHEMBL12082592 0.69 NAMPT (0.38) NAMPTGRM5PRMT5WDR77HRH3
SCHEMBL11479365 0.69 LMNA (0.34) LMNASMN1; SMN2
SCHEMBL1992279 0.68 MAPT (0.48) NAMPTGRM5MAPK1PDK2
SCHEMBL10825318 0.67 RAD52 (0.48) LMNAALDH1A1MEN1KMT2AGRM5

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
US-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US claimed
US-4223146-A ANTIULCER AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1980-09-16 US disclosed
US-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed