SCHEMBL9769962

SCHEMBL9769962

COC(=O)CNNC(=O)Cc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
ALDH1A1 P00352 3/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 4/20 0.52
MEN1 O00255 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
BLM P54132 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL9779596 0.87 POLB (0.56) KMT2AL3MBTL1ALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL9326187 0.82 ALDH1A1 (0.55) KMT2AL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL236205 0.81 HPGD (0.56) KMT2AL3MBTL1ALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL27610313 0.79 HPGD (0.54) KMT2AL3MBTL1ALDH1A1HPGDSMN1; SMN2
Acetone SCHEMBL29448975 0.78 HPGD (0.53) KMT2AL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10345060 0.76 HPGD (0.60) KMT2AL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL21789041 0.75 POLB (0.51) KMT2AL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5495002 0.74 HPGD (0.66) KMT2AL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL24646014 0.74 HPGD (0.66) KMT2AL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9542765 0.73 NPC1 (0.51) L3MBTL1ALDH1A1HPGDSMN1; SMN2POLB

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-4987134-A DISORDERS OF BRAIN FUNCTIONS CASSELLA AKTIENGESELLSCHAFT (DE) 1991-01-22 US disclosed