SCHEMBL1287119

SCHEMBL1287119

O=C(Cc1cccc(Cl)c1)NCC(c1ccc([N+](=O)[O-])cc1)c1csc(-c2cccs2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
THRB P10828 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1287125 0.86 NPC1 (0.40) MAPTPOLBRAB9ANPC1OPRM1
SCHEMBL3926183 0.86 NPC1 (0.40) MAPTPOLBRAB9ANPC1OPRM1
SCHEMBL501165 0.83 PTPRB (0.46) KDM4EMAPTPOLBKMT2AMEN1
SCHEMBL16060837 0.83 PTPRB (0.46) KDM4EMAPTPOLBKMT2AMEN1
SCHEMBL468068 0.82 KDM4E (0.43) KDM4EMAPTPOLBRAB9ANPC1
SCHEMBL3926184 0.76 KDM4E (0.41) KDM4EMAPTPOLBNPC1ALDH1A1
SCHEMBL16061091 0.75 MAPT (0.41) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL12469276 0.71 KDM4E (0.39) KDM4EMAPTPOLBRAB9ANPC1
SCHEMBL16059522 0.71 KDM4E (0.39) KDM4EMAPTPOLBRAB9ANPC1
SCHEMBL501157 0.70 PTPRB (0.42) MAPTPOLBRAB9ANPC1ALDH1A1

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-2624916-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES Aerpio Therapeutics Inc. (US) 2013-08-14 EP disclosed
WO-2012047966-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AKEBIA THERAPEUTICS INC. (US) 2012-04-12 WO disclosed