SCHEMBL28335954

SCHEMBL28335954

NC(=O)OC1CCn2c(nc(-c3ccccc3)c2F)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.36
▸ SCN1A P35498 2/20 0.36
▸ SCN2A Q99250 2/20 0.36
▸ SCN3A Q9NY46 2/20 0.36
▸ SCN9A Q15858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CHRM3 P20309 3/20 0.33
▸ CKS1B P61024 3/20 0.33
▸ SKP1 P63208 3/20 0.33
▸ SKP2 Q13309 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ TEC P42680 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL16003617 0.79 KDM4E (0.43) HPGDCKS1BSKP1SKP2TSHR
SCHEMBL16003610 0.72 CKS1B (0.58) CKS1BSKP1SKP2KMT2A
SCHEMBL16340755 0.71 GPR119 (0.35) HPGDCKS1BSKP1SKP2MEN1
SCHEMBL28336179 0.70 PDE10A (0.47) KMT2A
SCHEMBL28684926 0.69 CKS1B (0.65) CKS1BSKP1SKP2
SCHEMBL28879588 0.69 PDE10A (0.42) SCN9ASMN1; SMN2MEN1KMT2A
SCHEMBL29117227 0.66 NOTUM (0.55) CHRM3CHRM4CHRM5CHRM1
SCHEMBL29117230 0.66 NOTUM (0.55) CHRM3CHRM4CHRM5CHRM1
SCHEMBL28379144 0.65 POLB (0.52) SCN1ASCN2ASCN3ACHRM3MEN1
SCHEMBL28338234 0.64 ATM (0.30) —

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-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 — — CN disclosed
Send feedback