SCHEMBL28976476

SCHEMBL28976476

Cc1nc(C)c(C2CCC(F)(F)CC2)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 3/20 0.41
▸ CAMK1D Q8IU85 2/20 0.39
▸ KDM1A O60341 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ MAPK3 P27361 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ SYK P43405 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ AURKB Q96GD4 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NNMT P40261 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL28976931 0.82 SCN10A (0.40) SCN10ACAMK1DKDM1AMAOBPARP1
SCHEMBL28976382 0.81 SCN10A (0.39) SCN10ACAMK1DKDM1AMAOBPARP1
SCHEMBL28976616 0.79 SCN10A (0.38) SCN10ACAMK1DKDM1AMAOBPARP1
SCHEMBL28976387 0.79 SCN10A (0.38) SCN10ACAMK1DKDM1AMAOBPARP1
SCHEMBL28976419 0.78 KDM4E (0.40) SCN10APARP1PARP2KDM4ENNMT
SCHEMBL28976949 0.77 CAMK1D (0.40) SCN10ACAMK1DKDM1AMAOBPARP1
SCHEMBL28976707 0.76 CAMK1D (0.39) SCN10ACAMK1DKDM1AMAOBPARP1
SCHEMBL28976582 0.74 PARP1 (0.41) CAMK1DPARP1PARP2KDM4EMAPK3
SCHEMBL30755499 0.72 PARP1 (0.46) PARP1PARP2KDM4EMEN1MAPT
SCHEMBL28628579 0.71 SMN1; SMN2 (0.62) PARP1KDM4ESMN1; SMN2NNMT

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-115884810-A Imidazopyridazines as IL-17 modulators 詹森药业有限公司 2023-03-31 — — CN disclosed
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