SCHEMBL11476261

SCHEMBL11476261

CC(C)NC(=S)N1CCc2c(ncn2C)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM5 P41594 1/20 0.35
MAPK1 P28482 1/20 0.33
PDK2 Q15119 3/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NAMPT P43490 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL11477158 0.89 LMNA (0.44) LMNAALDH1A1MEN1KMT2AGRM5
SCHEMBL11516079 0.74 LMNA (0.45) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL10325665 0.74 GRM5 (0.44) GRM5PDK2NAMPT
SCHEMBL11516242 0.73 MEN1 (0.43) LMNAALDH1A1MEN1KMT2AGRM5
Hydrochloric Acid SCHEMBL11516834 0.73 LMNA (0.44) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL8316966 0.69 MAOA (0.36) GRM5HRH3
SCHEMBL11491448 0.69 DPP4 (0.35) LMNA
SCHEMBL1996747 0.68 ESR2 (0.46) GRM5MAPK1PDK2
SCHEMBL11479365 0.66 LMNA (0.34) LMNA
SCHEMBL438780 0.64 GRM5 (0.33) GRM5PDK2

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
US-4223146-A ANTIULCER AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1980-09-16 US claimed
US-4223146-A ANTIULCER AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1980-09-16 US disclosed