SCHEMBL4416673

SCHEMBL4416673

CCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.59
MAPK1 P28482 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MYOC Q99972 1/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
IDO1 P14902 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL128402 0.88 LOXL2 (0.61) ALDH1A1TSHRHSD17B10MAPTMEN1
Ammonia Solution, Strong SCHEMBL4739223 0.86 LOXL2 (0.59) ALDH1A1TSHRHSD17B10MAPTMEN1
Bromide SCHEMBL2771283 0.86 LOXL2 (0.59) ALDH1A1TSHRHSD17B10MAPTMEN1
SCHEMBL27734100 0.86 HSPB1 (0.56) HSPB1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL2000238 0.85 HSPB1 (0.63) HSPB1MAPK1ALDH1A1TSHRMAPT
SCHEMBL19308585 0.84 MAOB (0.68) MAPK1ALDH1A1MAPTMEN1KMT2A
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.84 HSPB1 (0.79) HSPB1MAPK1ALDH1A1HSD17B10MAPT
SCHEMBL11689190 0.84 HSPB1 (0.79) HSPB1MAPK1ALDH1A1HSD17B10MAPT
SCHEMBL9183872 0.84 HSPB1 (0.79) HSPB1MAPK1ALDH1A1HSD17B10MAPT
SCHEMBL2011179 0.84 HSPB1 (0.79) HSPB1MAPK1ALDH1A1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP claimed
CN-119707816-A Pyrazole hydrazide derivative containing diphenyl ether unit as well as preparation method and application thereof 江苏海洋大学 2025-03-28 CN disclosed
CN-110121519-B Polyimide oligomer, composition, production method, and use thereof 高新特殊工程塑料全球技术有限公司 2022-06-28 CN disclosed
CN-110139889-B Compositions and articles made from branched polyetherimides 高新特殊工程塑料全球技术有限公司 2022-04-12 CN disclosed
CN-110062785-B Composition of linear polyimide and branched polyimide 高新特殊工程塑料全球技术有限公司 2021-10-29 CN disclosed
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
US-6743790-B2 A UREA OR THIOUREA DERIVATIVES CONTAINING AMIDE GROUP USEFUL AS ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
EP-1299354-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2003-04-09 EP disclosed
WO-2001094301-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-13 WO disclosed
EP-1162194-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use Aventis Pharma Deutschland GmbH (DE) 2001-12-12 EP disclosed