SCHEMBL9851995

SCHEMBL9851995

CCN(CC)C(=O)n1cnc(SCc2ccc(Cl)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.44
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
ALOX15B O15296 1/20 0.39
CYP2D6 P10635 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL9015529 0.87 NPC1 (0.51) L3MBTL1NPSR1MEN1KMT2AALDH1A1
SCHEMBL16143757 0.86 USP2 (0.40) L3MBTL1NPSR1MEN1KMT2AALDH1A1
SCHEMBL10518597 0.84 L3MBTL1 (0.42) L3MBTL1NPSR1MEN1KMT2AALDH1A1
SCHEMBL11035938 0.81 MAPT (0.54) L3MBTL1MEN1KMT2AHTTRAB9A
SCHEMBL9851959 0.78 SMN1; SMN2 (0.43) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL10877559 0.78 TRPM8 (0.41) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL10509749 0.77 NPC1 (0.35) NPSR1MEN1KMT2AALDH1A1LMNA
SCHEMBL7660067 0.76 LMNA (0.37) L3MBTL1NPSR1MEN1KMT2AALDH1A1
SCHEMBL9725533 0.75 TDP1 (0.32) ALDH1A1LMNASMN1; SMN2HPGDTDP1
SCHEMBL5376216 0.75 NPC1 (0.52) L3MBTL1NPSR1MEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3099066-A None JP disclosed
JP-H0399066-A SUBSTITUTED CARBAMOYLTRIAZOLE BAYER AG 1991-04-24 JP disclosed
EP-0422369-A2 Substituted carbamoyltriazoles BAYER AG (DE) 1991-04-17 EP disclosed