SCHEMBL29139832

SCHEMBL29139832

NC(=O)NC1=CCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
NOTUM Q6P988 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CES1 P23141 1/20 0.37
GAA P10253 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 3/20 0.36
GFER P55789 1/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
PABPC1 P11940 1/20 0.36

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
SCHEMBL31301103 0.83 NPC1 (0.53) SMN1; SMN2NPC1RAB9ACES1CYP1A2
SCHEMBL1200124 0.83 NPC1 (0.53) SMN1; SMN2NPC1RAB9ACES1CYP1A2
SCHEMBL4771351 0.78 CYP1A2 (0.35) SMN1; SMN2NPC1RAB9ACES1GAA
SCHEMBL13114103 0.77 NPC1 (0.39) SMN1; SMN2HTTNPC1RAB9ACES1
SCHEMBL19435728 0.74 NPC1 (0.50) SMN1; SMN2NPC1RAB9ACYP1A2MEN1
SCHEMBL8111658 0.74 NOTUM (0.45) SMN1; SMN2HTTNOTUMNPC1RAB9A
SCHEMBL9501828 0.73 MTNR1A (0.42) SMN1; SMN2HTTNOTUMNPC1RAB9A
SCHEMBL12843388 0.73 CES1 (0.39) SMN1; SMN2HTTNPC1RAB9ACES1
SCHEMBL19775784 0.72 CES1 (0.39) SMN1; SMN2HTTNPC1RAB9ACES1
SCHEMBL27281859 0.71 CYP1A2 (0.45) NPC1RAB9AGAACYP1A2CYP2C19

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
CN-110831926-B Tetrahydronaphtyl urea derivatives 持田制药株式会社 2023-11-21 CN disclosed