SCHEMBL14775601

SCHEMBL14775601

Cc1nn(-c2ccccc2)c2sc(C(=O)NC3CCCC(N4C(=O)CN(C)C4=O)C3)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.68
ALDH1A1 P00352 7/20 0.68
KDM4E B2RXH2 6/20 0.68
LMNA P02545 3/20 0.68
NPSR1 Q6W5P4 3/20 0.68
TSHR P16473 2/20 0.68
GLA P06280 1/20 0.68
PKM P14618 1/20 0.68
HTT P42858 2/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
PDE7A Q13946 6/20 0.62
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 6/20 0.48
USP2 O75604 2/20 0.48
CREBBP Q92793 1/20 0.48
TP53 P04637 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL852846 0.90 NPC1 (0.76) HPGDALDH1A1KDM4ELMNANPSR1
SCHEMBL14775600 0.85 PDE7A (0.84) PDE7A
SCHEMBL14775654 0.84 ALDH1A1 (0.66) HPGDALDH1A1KDM4ELMNANPSR1
SCHEMBL853828 0.80 HTT (0.73) HPGDALDH1A1KDM4ELMNANPSR1
SCHEMBL852722 0.80 HTT (0.81) HPGDALDH1A1KDM4ELMNANPSR1
SCHEMBL854846 0.79 HTT (0.84) HPGDALDH1A1KDM4ELMNANPSR1
SCHEMBL854378 0.79 HTT (0.84) HPGDALDH1A1KDM4ELMNANPSR1
SCHEMBL853038 0.79 HTT (0.96) HPGDALDH1A1KDM4ELMNANPSR1
SCHEMBL853741 0.78 HTT (0.86) HPGDALDH1A1KDM4ELMNANPSR1
SCHEMBL853971 0.77 NPC1 (0.77) HPGDALDH1A1KDM4ELMNANPSR1

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