SCHEMBL20194286

SCHEMBL20194286

Cc1ccc(-c2ccc(NCC3CC3)c(C=N)c2)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.39
BRD4 O60885 5/20 0.36
ABL1 P00519 1/20 0.33
KDM4E B2RXH2 1/20 0.32
VCP P55072 2/20 0.32
CREBBP Q92793 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SLC6A4 P31645 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL9604228 0.77 PTGER4 (0.58) PTGER4BRD4KDM4EHDAC6SLC6A4
SCHEMBL22073753 0.68 ALDH1A1 (0.38) KDM4E
SCHEMBL14838605 0.68 RAPGEF4 (0.48) PTGER4BRD4
SCHEMBL20194290 0.65 HDAC1 (0.48) PTGER4HDAC6
SCHEMBL24388002 0.65 PTGER4 (0.49) PTGER4BRD4KDM4EHDAC6SLC6A4
SCHEMBL424798 0.65 TDP1 (0.56) KDM4E
SCHEMBL20194275 0.65 PTGER4 (0.36) PTGER4BRD4
SCHEMBL20194285 0.65 PTGER4 (0.46) PTGER4CREBBPHDAC6
SCHEMBL20194287 0.64 HDAC1 (0.54) PTGER4
SCHEMBL11365078 0.63 TDP1 (0.54)

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-2970139-B1 HDAC INHIBITORS BIOMARIN PHARM INC (US) 2018-05-30 EP disclosed