SCHEMBL11049872

SCHEMBL11049872

COC(=O)CN(C)C(=S)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
ATM Q13315 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
RXFP1 Q9HBX9 4/20 0.40
PLAU P00749 1/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
DHODH Q02127 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL11053906 0.87 NCEH1 (0.43) NCEH1MEN1KMT2AL3MBTL1LMNA
SCHEMBL11057263 0.86 NCEH1 (0.46) NCEH1MEN1KMT2AL3MBTL1LMNA
SCHEMBL11056745 0.80 SLC9A1 (0.45) NCEH1CYP1A2POLBNPC1RAB9A
SCHEMBL11167863 0.79 AKR1B10 (0.43) NCEH1MEN1KMT2AL3MBTL1LMNA
SCHEMBL9380765 0.76 NCEH1 (0.47) NCEH1MEN1KMT2AL3MBTL1LMNA
SCHEMBL11161627 0.74 ACP1 (0.37) NCEH1MEN1KMT2ACYP1A2RXFP1
SCHEMBL192728 0.74 NCEH1 (0.54) NCEH1MEN1KMT2AL3MBTL1LMNA
SCHEMBL11668971 0.74 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1LMNACYP1A2
SCHEMBL181238 0.73 PLAU (0.61) NCEH1LMNAATMPLAUSMN1; SMN2
SCHEMBL30369699 0.73 PLAU (0.61) NCEH1LMNAATMPLAUSMN1; SMN2

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-4447452-A ANTIDIABETIC AGENT AYERST, MCKENNA & HARRISON INC. (CA) 1984-05-08 US disclosed