SCHEMBL3667054

SCHEMBL3667054

Cc1cccc(N)c1Cc1c(C)cccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.54
CYP3A4 P08684 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 3/20 0.48
PIK3CA P42336 1/20 0.48
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TAAR1 Q96RJ0 2/20 0.38
CYP1A2 P05177 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2A6 P11509 1/20 0.38
HPGD P15428 1/20 0.38
HTR1D P28221 1/20 0.37
ALOX15 P16050 2/20 0.36
CASP7 P55210 2/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL10505857 0.85 CYP3A4 (0.46) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL10517900 0.85 CYP3A4 (0.46) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL10506423 0.83 CYP3A4 (0.48) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL31469994 0.83 CD44 (0.43) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL2009339 0.83 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL455161 0.83 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL31606366 0.83 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL6344760 0.83 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL30417664 0.83 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL20841387 0.81 CD44 (0.50) CD44CYP3A4TDP1TSHRPIK3CA

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
JP-63207852-A None JP disclosed
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
US-5288424-A Curing agents for epoxy resins AIR PRODUCTS AND CHEMICALS, INC. (US) 1994-02-22 US disclosed
US-5264501-A Pot life, thermal stability, epoxy resin AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-11-23 US disclosed
JP-S63207852-A PRODUCTION OF MOLDING MATERIAL SHIN KOBE ELECTRIC MACH CO LTD 1988-08-29 JP disclosed