SCHEMBL8130850

SCHEMBL8130850

Cc1cc(C(c2ccccc2)c2cc(C)c(N)cc2C)c(C)cc1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.36
▸ PKM P14618 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.35
▸ CASP1 P29466 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
Dimethylamine SCHEMBL10775328 0.95 CYP3A4 (0.39) CYP3A4TSHRMAPK1ALDH1A1PKM
SCHEMBL8579882 0.89 CYP3A4 (0.38) CYP3A4TSHRMAPK1ALDH1A1TDP1
SCHEMBL10492874 0.82 TDP1 (0.39) CYP3A4ALDH1A1TDP1SLC6A2SLC6A4
SCHEMBL10478429 0.79 APAF1 (0.44) CYP3A4TSHRMAPK1ALDH1A1TDP1
SCHEMBL25998080 0.77 ALDH1A1 (0.35) CYP3A4TSHRMAPK1ALDH1A1PKM
SCHEMBL5612635 0.77 ALDH1A1 (0.45) CYP3A4MAPK1ALDH1A1PKMTDP1
SCHEMBL22044344 0.77 ALDH1A1 (0.45) CYP3A4TSHRMAPK1ALDH1A1TDP1
SCHEMBL8389678 0.76 EPHX1 (0.41) CYP3A4TSHRMAPK1CYP2C9
SCHEMBL10492513 0.76 TYR (0.43) CYP3A4TSHRMAPK1ALDH1A1TDP1
SCHEMBL6403658 0.76 ALDH1A1 (0.33) CYP3A4TSHRALDH1A1TDP1CYP2C9

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
US-6051677-A Gas separating membrane having a polycarbodiimide resin layer NITTO DENKO CORPORATION (JP) 2000-04-18 — — US disclosed
EP-0614934-B1 Colored resin, colored molded resin member and color filter ORIENT CHEMICAL IND (JP) 1999-04-28 — — EP disclosed
EP-0490253-B1 Magenta toner for developing electrostatic images ORIENT CHEMICAL IND (JP) 1996-03-06 — — EP disclosed
EP-0614934-A1 Colored resin, colored molded resin member and color filter ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-14 — — EP disclosed
US-5254420-A Disazo dye ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 — — US disclosed
EP-0490253-A2 Magenta toner for developing electrostatic images ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-17 — — EP disclosed
US-3966900-A INSECTICIDES AIRWICK INDUSTRIES, INC. (US) 1976-06-29 — — US disclosed
Send feedback