SCHEMBL2001440

SCHEMBL2001440

C1=Cc2cc3ccc([nH]3)c(Cc3ccccc3)c3nc(cc4ccc(cc1n2)[nH]4)C=C3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ GAA P10253 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PKM P14618 2/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8858175 0.89 STAT3 (0.47) STAT3STAT1GAAKDM4EALDH1A1
SCHEMBL14867477 0.89 STAT3 (0.49) STAT3STAT1
SCHEMBL5533945 0.83 STAT3 (0.49) STAT3STAT1
SCHEMBL17419209 0.83 STAT3 (0.51) STAT3STAT1HTTGSK3B
SCHEMBL20212035 0.82 MEN1 (0.43) STAT3STAT1TSHRKMT2AMEN1
SCHEMBL8172533 0.80 STAT3 (0.47) STAT3STAT1
SCHEMBL460386 0.80 STAT3 (0.47) STAT3STAT1
SCHEMBL4410064 0.80 STAT3 (0.47) STAT3STAT1
SCHEMBL144247 0.80 STAT3 (0.47) STAT3STAT1
SCHEMBL2001442 0.79 STAT3 (0.43) STAT3STAT1GAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10688052-B2 Abuse resistant forms of extended release oxymorphone, method of use and method of making INSPIRION DELIVERY SCIENCES LLC (US) 2020-06-23 — — US disclosed
US-20110150971-A1 ABUSE RESISTANT DRUGS, METHOD OF USE AND METHOD OF MAKING INSPIRION DELIVERY TECHNOLOGIES, LLC (US) 2011-06-23 — — US disclosed
EP-2109689-A2 DETECTION OF MOLECULE PROXIMITY Perscitus Biosciences, LLC (US) 2009-10-21 — — EP disclosed
WO-2008098100-A2 DETECTION OF MOLECULE PROXIMITY PERSCITUS BIOSCIENCES, LLC (US) 2008-08-14 — — WO disclosed
US-20040010218-A1 Photodynamic therapy for the enhancement of vascular permeability to aid in drug delivery to diseased tissues NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-15 — — US disclosed
EP-1380305-A1 Photodynamic therapy for the enhancement of vascular permeability HEALTH RESEARCH, INC. (US) 2004-01-14 — — EP disclosed
CN-1095333-C Fungicidal compositions for enhancement of turf quality UNIV NORTH CAROLINA STATE (US) 2002-12-04 — — CN disclosed
CN-1180298-A Fungicidal compositions for enhancement of turf quality UNIV NORTH CAROLINA STATE (US) 1998-04-29 — — CN disclosed
US-5643852-A MONOESTER SALTS OF PHOSPHOROUS ACID WITH ETHYLENEBISDITHIO CARBAMATES AND BENZOPORPHYRIN COMPOUNDS NORTH CAROLINA STATE UNIVERSITY (US) 1997-07-01 — — US disclosed
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