SCHEMBL29618331

SCHEMBL29618331

CS(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)CCC3)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.50
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
ROCK2 O75116 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
BRAF P15056 1/20 0.45
CSNK2A1 P68400 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL29664409 0.89 CCNT1 (0.53) MEN1KMT2AMAPT
SCHEMBL29618400 0.81 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL29618334 0.81 PARP1 (0.57) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL23356342 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL31344050 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL29618337 0.74 KCNK3 (0.48) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL27817425 0.74 MEN1 (0.68) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL3915842 0.73 PARP1 (0.60) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL29618368 0.73 MEN1 (0.46) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2852065 0.73 SMN1; SMN2 (0.74) MEN1KMT2AALDH1A1LMNASMN1; 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
CN-114591293-A Fused ring compound as Nav1.8 inhibitor and application thereof 成都康弘药业集团股份有限公司 2022-06-07 CN disclosed