SCHEMBL468049

SCHEMBL468049

O=C(NCc1ccccc1)NC(Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2cccs2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 5/20 0.50
ROCK1 Q13464 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
CCR3 P51677 4/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPRF P10586 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL500047 1.00 PTPRB (0.50) PTPRBROCK1NPC1RAB9ACCR3
SCHEMBL23303479 0.88 PTPRB (0.51) PTPRBNPC1RAB9ACCR3KDM4E
SCHEMBL23303481 0.88 PTPRB (0.51) PTPRBNPC1RAB9ACCR3KDM4E
SCHEMBL29794295 0.85 PTPRB (0.50) PTPRBNPC1RAB9ACCR3KDM4E
SCHEMBL27240710 0.85 PTPRB (0.61) PTPRBCCR3
SCHEMBL16030968 0.85 PTPRB (0.61) PTPRBCCR3
SCHEMBL27240709 0.85 PTPRB (0.61) PTPRBCCR3
SCHEMBL16030965 0.85 PTPRB (0.61) PTPRBCCR3
SCHEMBL468068 0.84 KDM4E (0.43) ROCK1NPC1RAB9AKDM4ELMNA
SCHEMBL23303494 0.84 PTPRB (0.59) PTPRBNPC1RAB9ACCR3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114939117-A Method of treating vascular leak syndrome 视点制药公司 2022-08-26 CN disclosed
EP-2967066-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics Inc. (US) 2016-01-20 EP disclosed
WO-2014145068-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC. (US) 2014-09-18 WO disclosed
EP-2451279-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS Akebia Therapeutics Inc. (US) 2012-05-16 EP disclosed
EP-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP disclosed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed