SCHEMBL6679713

SCHEMBL6679713

c1ccc(-c2ccc3cc4ccccc4cc3c2-c2ccccn2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
KDM4E B2RXH2 11/20 0.45
LMNA P02545 6/20 0.45
CYP1A2 P05177 2/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
SMN1; SMN2 Q16637 7/20 0.44
TP53 P04637 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
ALPL P05186 1/20 0.44

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
SCHEMBL28056244 0.90 TGFBR1 (0.42) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL28681737 0.84 KDM4E (0.47) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL28377733 0.84 LMNA (0.49) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL31261515 0.84 KDM4E (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL1817511 0.84 KDM4E (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL21274321 0.83 KDM4E (0.50) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL5366233 0.83 KDM4E (0.46) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL27845489 0.83 HTR2C (0.47) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL28448580 0.82 KDM4E (0.38) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL29738324 0.82 KDM4E (0.38) CCR1CCR5CCR8KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910099-B1 Conductive polymer coatings XEROX CORP (US) 2004-08-18 EP disclosed
US-6340528-B1 USEFUL IN IONOGRAPHIC OR ELECTROPHOTOGRAPHIC APPARATUSES AND USEFUL IN HYBRID SCAVENGELESS DEVELOPMENT UNITS XEROX CORPORATION 2002-01-22 US disclosed
US-6289196-B1 Oxidized transport donor roll coatings XEROX CORPORATION 2001-09-11 US disclosed
US-6013802-A AS FLUROESCENT INDICATORS FOR DETECTION AND QUANTIFICATION OF METAL IONS MOLECULAR PROBES, INC. (US) 2000-01-11 US disclosed
US-5968674-A ARYLAMINE CHARGE TRANSPORT COMPOUND, AN OXIDIZED ARYLAMINE CHARGE TRANSPORT COMPOUND SALT AND POLYMER BINDER WITH FLUORO ANTIMONATE AND HEXAFLUOROARSENATE XEROX CORPORATION (US) 1999-10-19 US disclosed
EP-0910099-A1 Conductive polymer coatings Xerox Corporation (US) 1999-04-21 EP disclosed
US-5648270-A FLUORESCENT INDICATORS USING METAL-PYRIDINE COMPLEXES MOLECULAR PROBES, INC. (US) 1997-07-15 US disclosed