SCHEMBL7928173

SCHEMBL7928173

Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2c(O)ccc(O)c2C3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
HIF1A Q16665 2/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 7/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPT P10636 6/20 0.52
NPC1 O15118 5/20 0.52
MAPK1 P28482 5/20 0.52
LMNA P02545 5/20 0.52
RAB9A P51151 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
PRKCA P17252 1/20 0.46
CYP19A1 P11511 1/20 0.45
KDM4E B2RXH2 5/20 0.44
GAA P10253 5/20 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
SCHEMBL11605009 1.00 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6HIF1ACYP2C9
SCHEMBL11398684 1.00 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6HIF1ACYP2C9
SCHEMBL10810315 0.91 CSNK2A2 (0.57) CYP1A2CYP3A4CYP2D6HIF1ACYP2C9
SCHEMBL10811802 0.91 CSNK2A2 (0.57) CYP1A2CYP3A4CYP2D6HIF1ACYP2C9
SCHEMBL39659 0.89 MAPT (0.67) CYP1A2CYP3A4CYP2D6HIF1ACYP2C9
SCHEMBL29353964 0.89 MAPT (0.67) CYP1A2CYP3A4CYP2D6HIF1ACYP2C9
SCHEMBL9438085 0.89 NPC1 (0.55) L3MBTL1MEN1KMT2AMAPTNPC1
SCHEMBL11602083 0.89 MAPT (0.56) CYP1A2CYP3A4CYP2D6HIF1ACYP2C9
SCHEMBL10400673 0.87 CYP3A4 (0.72) CYP1A2CYP3A4CYP2D6HIF1ACYP2C9
Formaldehyde SCHEMBL27614219 0.87 MAPT (0.64) CYP1A2CYP3A4CYP2D6HIF1ACYP2C9

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
EP-0931111-B1 ANTHRAQUINONE POLYSULFONAMIDE COLORANTS EASTMAN CHEM CO (US) 2001-10-24 EP disclosed
US-6140517-A Anthraquinone polysulfonamide colorants EASTMAN CHEMICAL COMPANY (US) 2000-10-31 US disclosed
US-6121351-A A POLYMERIC DYE BLENDS IS NOT LEACHABLE, SUBLIMABLE OR EXTRACTABLE AND DO NOT EXUDE FROM THE THERMOPLASTIC COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2000-09-19 US disclosed
EP-0931111-A1 ANTHRAQUINONE POLYSULFONAMIDE COLORANTS EASTMAN CHEMICAL COMPANY (US) 1999-07-28 EP disclosed
EP-0925322-A1 THERMOPLASTIC COMPOSITIONS CONTAINING ANTHRAQUINONE POLYSULFONAMIDE COLORANTS EASTMAN CHEMICAL COMPANY (US) 1999-06-30 EP disclosed
WO-1998010022-A1 ANTHRAQUINONE POLYSULFONAMIDE COLORANTS EASTMAN CHEMICAL COMPANY (US) 1998-03-12 WO disclosed
WO-1998010010-A1 THERMOPLASTIC COMPOSITIONS CONTAINING ANTHRAQUINONE POLYSULFONAMIDE COLORANTS EASTMAN CHEMICAL COMPANY (US) 1998-03-12 WO disclosed
US-4128396-A Process for the improvement of dyeing properties of pigments of the anilino and arylmercapto anthraquinone series CIBA-GEIGY CORPORATION (US) 1978-12-05 US disclosed
US-3975410-A Process for the manufacture of halogen-containing anthraquinoidal compounds, their use and new halogen-containing anthraquinoidal compounds CIBA-GEIGY CORPORATION (US) 1976-08-17 US disclosed