SCHEMBL19590941

SCHEMBL19590941

CC(C)C(C)NC(=O)Cn1cnc2c1C(=O)N(C)C(O)N2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TRPA1 O75762 3/20 0.33
▸ HTT P42858 1/20 0.32
▸ PSMB1 P20618 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KDM4E B2RXH2 1/20 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
SCHEMBL22085071 0.80 SMN1; SMN2 (0.46) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL21217570 0.78 MAPK1 (0.36) KMT2AMEN1L3MBTL1MAPK1ALDH1A1
SCHEMBL19472255 0.77 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1HPGDNPSR1KDM4E
SCHEMBL20030198 0.77 TRPA1 (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1TRPA1
SCHEMBL21218027 0.76 ALDH1A1 (0.40) KMT2AMEN1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL21218064 0.76 RAB9A (0.44) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL19590910 0.76 ALDH1A1 (0.45) KMT2AMEN1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL21935695 0.74 PORCN (0.46) SMN1; SMN2TRPA1HTTTRPV4
SCHEMBL19590943 0.74 GAA (0.45) L3MBTL1MAPK1SMN1; SMN2CYP2D6CYP1A2
SCHEMBL19036794 0.74 ALDH1A1 (0.39) KMT2AMEN1L3MBTL1MAPK1SMN1; 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-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 — — US disclosed
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