SCHEMBL14775820

SCHEMBL14775820

Cc1nn(-c2ccccc2)c2sc(C(=O)NC(C)(C)CCN3C(=O)CNC3=O)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 7/20 0.53
HPGD P15428 6/20 0.53
POLB P06746 3/20 0.53
HSD17B10 Q99714 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 3/20 0.51
LMNA P02545 2/20 0.51
GLA P06280 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
ESR1 P03372 1/20 0.51
MAPT P10636 10/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50

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
SCHEMBL853627 0.91 HTT (0.55) HTTNPC1RAB9AKDM4EALDH1A1
SCHEMBL853080 0.86 KDM4E (0.66) HTTNPC1RAB9AKDM4EALDH1A1
SCHEMBL854765 0.83 PDE7A (0.68) HTTNPC1RAB9AKDM4EALDH1A1
SCHEMBL853856 0.81 PDE7A (0.67) HTTNPC1RAB9AKDM4EALDH1A1
SCHEMBL853174 0.81 PDE7A (0.67) HTTNPC1RAB9AKDM4EALDH1A1
SCHEMBL14775819 0.81 PDE7A (0.76) PDE7A
SCHEMBL855397 0.80 KDM4E (0.65) HTTNPC1RAB9AKDM4EALDH1A1
SCHEMBL852712 0.80 KDM4E (0.65) HTTNPC1RAB9AKDM4EALDH1A1
SCHEMBL851718 0.80 PDE7A (0.56) HTTNPC1RAB9AKDM4EALDH1A1
SCHEMBL854432 0.80 PDE7A (0.68) HTTNPC1RAB9AKDM4EALDH1A1

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-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP claimed