SCHEMBL11035938

SCHEMBL11035938

CCN(CC)C(=O)n1cnc(SCc2ccccc2Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 3/20 0.48
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 1/20 0.41
HTR6 P50406 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 1/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 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 0.83 NPC1 (0.51) SMN1; SMN2HPGDNPC1RAB9AKMT2A
SCHEMBL9851995 0.81 L3MBTL1 (0.50) MAPTSMN1; SMN2HPGDTDP1NPC1
SCHEMBL16143757 0.77 USP2 (0.40) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL10877559 0.76 TRPM8 (0.41) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL9851959 0.76 SMN1; SMN2 (0.43) SMN1; SMN2TDP1KMT2AL3MBTL1MEN1
SCHEMBL10509749 0.75 NPC1 (0.35) MAPTSMN1; SMN2HPGDTDP1NPC1
SCHEMBL9015526 0.75 MAPT (0.33) MAPTSMN1; SMN2HPGDTDP1RAB9A
SCHEMBL7660067 0.74 LMNA (0.37) MAPTSMN1; SMN2HPGDTDP1KMT2A
SCHEMBL9725533 0.74 TDP1 (0.32) SMN1; SMN2HPGDTDP1
SCHEMBL9725531 0.74 TDP1 (0.32) SMN1; SMN2HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59039880-A None JP disclosed
JP-S5939880-A CARBAMOLYTRIAZOLE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT SUMITOMO CHEM CO LTD 1984-03-05 JP disclosed