SCHEMBL29618337

SCHEMBL29618337

COc1cc(NC(=O)c2cnc3c(c2)CCC3)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
SMN1; SMN2 Q16637 7/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RPS6KA2 Q15349 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SORT1 Q99523 1/20 0.44
RAB9A P51151 6/20 0.44
MAPT P10636 4/20 0.44
SCN10A Q9Y5Y9 3/20 0.43
NPC1 O15118 5/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NR4A2 P43354 1/20 0.42
DHODH Q02127 1/20 0.42

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
SCHEMBL29618378 0.98 KCNK3 (0.48) KCNK3KCNK9SMN1; SMN2KDM4EMEN1
SCHEMBL29618385 0.83 RAB9A (0.41) KCNK3KCNK9SMN1; SMN2KDM4EMEN1
SCHEMBL29618368 0.76 MEN1 (0.46) SMN1; SMN2KDM4EMEN1KMT2ASCN10A
SCHEMBL29618400 0.75 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL113971 0.75 KCNK9 (0.66) KCNK3KCNK9SMN1; SMN2MEN1KMT2A
SCHEMBL29618334 0.74 PARP1 (0.57) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL29618331 0.74 MEN1 (0.52) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL29618311 0.73 SPR (0.45) SMN1; SMN2KDM4ERAB9AMAPTNPC1
SCHEMBL29923785 0.72 HDAC4 (0.60) KCNK3KCNK9KDM4ERPS6KA2HDAC4
SCHEMBL29664409 0.72 CCNT1 (0.53) MEN1KMT2AMAPTSCN10A

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