SCHEMBL14775743

SCHEMBL14775743

CC(=O)ON(C)C(=O)NC1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.77
NPC1 O15118 1/20 0.77
RAB9A P51151 1/20 0.77
HPGD P15428 8/20 0.70
KDM4E B2RXH2 8/20 0.70
ALDH1A1 P00352 8/20 0.70
NPSR1 Q6W5P4 3/20 0.70
LMNA P02545 2/20 0.70
GLA P06280 1/20 0.70
PKM P14618 1/20 0.70
TSHR P16473 1/20 0.70
POLB P06746 3/20 0.55
HSD17B10 Q99714 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 10/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
TP53 P04637 4/20 0.51

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
SCHEMBL855446 0.86 HTT (0.92) HTTNPC1RAB9AHPGDKDM4E
SCHEMBL853038 0.86 HTT (0.96) HTTNPC1RAB9AHPGDKDM4E
SCHEMBL3870862 0.85 HTT (0.79) HTTNPC1RAB9AHPGDKDM4E
SCHEMBL854111 0.84 HTT (0.77) HTTNPC1RAB9AHPGDKDM4E
SCHEMBL853759 0.84 HTT (0.92) HTTNPC1RAB9AHPGDKDM4E
SCHEMBL853120 0.84 NPC1 (0.83) HTTNPC1RAB9AHPGDKDM4E
SCHEMBL852970 0.83 HTT (0.90) HTTNPC1RAB9AHPGDKDM4E
SCHEMBL853669 0.83 HTT (0.90) HTTNPC1RAB9AHPGDKDM4E
SCHEMBL853157 0.83 HTT (0.85) HTTNPC1RAB9AHPGDKDM4E
SCHEMBL854743 0.82 HTT (0.88) HTTNPC1RAB9AHPGDKDM4E

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