SCHEMBL28976327

SCHEMBL28976327

Cc1ncc(C2CCC(F)(F)CC2)c(C)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.36
▸ SCN10A Q9Y5Y9 2/20 0.36
▸ CAMK1D Q8IU85 2/20 0.33
▸ CNR2 P34972 4/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PKMYT1 Q99640 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ LNPEP Q9UIQ6 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ DGAT1 O75907 2/20 0.31
▸ SOAT1 P35610 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ PARP1 P09874 2/20 0.31

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
SCHEMBL28976950 0.89 KDM1A (0.41) KDM1AMAOBPDE10ASCN10ACAMK1D
SCHEMBL28976710 0.85 KDM1A (0.41) KDM1AMAOBPDE10ASCN10ACAMK1D
SCHEMBL28976932 0.81 KDM1A (0.39) KDM1AMAOBSCN10ACAMK1DPKMYT1
SCHEMBL28976385 0.80 KDM1A (0.38) KDM1AMAOBSCN10ACAMK1DCYP2D6
SCHEMBL28976390 0.79 KDM1A (0.38) KDM1AMAOBSCN10ACAMK1DMAPK8
SCHEMBL28976619 0.78 KDM1A (0.37) KDM1AMAOBSCN10AMAPK8LNPEP
SCHEMBL28976373 0.78 PDE10A (0.35) KDM1AMAOBPDE10ASCN10ACAMK1D
SCHEMBL28976542 0.78 PDE10A (0.37) KDM1AMAOBPDE10ASCN10ACAMK1D
SCHEMBL28976422 0.77 KDM1A (0.36) KDM1AMAOBSCN10AOPRM1DGAT1
SCHEMBL28976466 0.71 PARP1 (0.33) KDM1AMAOBSCN10AOPRM1PARP1

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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