SCHEMBL1496978

SCHEMBL1496978

CCN1CCCC1CC(NC(=O)NCCc1ccccc1)c1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
MCHR2 Q969V1 1/20 0.36
MCHR1 Q99705 1/20 0.36
HDAC1 Q13547 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HIF1A Q16665 2/20 0.34
EPHX2 P34913 2/20 0.34

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
SCHEMBL10476400 0.89 KDM4E (0.37) RAB9ASMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL1497020 0.85 RAB9A (0.36) RAB9ASMN1; SMN2KMT2AKDM4ECYP1A2
SCHEMBL1497137 0.80 HDAC3 (0.39) KMT2AKDM4EALDH1A1CYP1A2HDAC1
SCHEMBL1496898 0.80 HDAC3 (0.38) KMT2AKDM4EALDH1A1HSD17B10HDAC1
SCHEMBL1496975 0.79 ALDH1A1 (0.41) RAB9ASMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL1483181 0.79 UTS2R (0.47) KMT2AHIF1A
SCHEMBL1497166 0.78 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1HPGDLMNA
SCHEMBL1497005 0.78 UTS2R (0.42) KMT2AHDAC1HIF1AEPHX2
SCHEMBL1497209 0.78 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1HPGDLMNA
SCHEMBL1482240 0.77 ALDH1A1 (0.40) KMT2AKDM4EALDH1A1HPGDLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed