SCHEMBL29618334

SCHEMBL29618334

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.57
PARP10 Q53GL7 6/20 0.57
PARP15 Q460N3 5/20 0.57
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 2/20 0.46
NFKB1 P19838 2/20 0.46
HTT P42858 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.46
CASP3 P42574 1/20 0.45
KLF5 Q13887 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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 0.83 CCNT1 (0.53) KMT2AMEN1MAPTPOLB
SCHEMBL29618400 0.81 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL29618331 0.81 MEN1 (0.52) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL26607684 0.79 NNMT (0.58) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL17675163 0.76 NNMT (0.58) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL29618337 0.74 KCNK3 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL21446741 0.74 KDR (0.61) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL29618368 0.74 MEN1 (0.46) SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL10247929 0.74 ATR (0.57) PARP1PARP10PARP15KMT2AMEN1
SCHEMBL3096639 0.74 KCNQ3 (0.52) PARP1PARP10PARP15RAB9ANPC1

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