SCHEMBL23732155

SCHEMBL23732155

CN(C)C(=O)C(=O)c1cc2ccc(Cl)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.44
DHPS P49366 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PRSS12 P56730 2/20 0.40
EGFR P00533 1/20 0.40
ALK Q9UM73 1/20 0.40
OPRM1 P35372 3/20 0.39
F10 P00742 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL16595474 0.81 PRSS12 (0.46) CHRNA7DHPSHDAC1HDAC3HDAC4
SCHEMBL16595885 0.80 DHPS (0.44) CHRNA7DHPSHDAC1HDAC3HDAC4
SCHEMBL8905597 0.79 DYRK1A (0.53) CHRNA7DHPSHDAC1HDAC3HDAC4
SCHEMBL2724666 0.77 DHPS (0.47) CHRNA7DHPSHDAC1HDAC3HDAC4
SCHEMBL156320 0.77 BCL2L1 (0.59) CHRNA7DHPSHDAC1HDAC3HDAC4
SCHEMBL29792687 0.76 CDK8 (0.54) CHRNA7DHPSHDAC1HDAC3HDAC4
SCHEMBL23088188 0.76 CDK8 (0.54) CHRNA7DHPSHDAC1HDAC3HDAC4
SCHEMBL16595448 0.75 PTPN1 (0.51) CHRNA7DHPSHDAC1HDAC3HDAC4
SCHEMBL1397715 0.75 HDAC1 (0.56) CHRNA7DHPSHDAC1HDAC3HDAC4
SCHEMBL30298066 0.75 PRSS12 (0.47) CHRNA7DHPSHDAC1HDAC3HDAC4

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
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed