SCHEMBL11515901

SCHEMBL11515901

CNC(=S)N1CCc2[nH]cnc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTR2C P28335 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
AKT1 P31749 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MAOB P27338 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
NAMPT P43490 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 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
SCHEMBL11516079 0.86 LMNA (0.45) MEN1KMT2APOLBHTR2CMAPT
Hydrochloric Acid SCHEMBL11516834 0.85 LMNA (0.44) MEN1KMT2APOLBHTR2CMAPT
SCHEMBL11514216 0.82 ALDH1A1 (0.39) MEN1KMT2APOLBKDM4ENPC1
SCHEMBL11515494 0.82 BAZ2B (0.43) POLBHTR2CAKT1NAMPTHRH4
SCHEMBL11518328 0.82 MAPT (0.45) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL11517624 0.80 ALDH1A1 (0.51) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL11518462 0.79 MAPT (0.43) MEN1KMT2APOLBKDM4ERAB9A
SCHEMBL11515001 0.79 ALDH1A1 (0.53) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL12662820 0.77 BAZ2B (0.43) MAPTLMNANAMPT
SCHEMBL1994788 0.75 NAMPT (0.38) POLBKDM4EHTR2CAKT1NAMPT

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-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US claimed
US-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed