SCHEMBL8536213

SCHEMBL8536213

CN(C)c1cc(N)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.53
▸ PDE10A Q9Y233 1/20 0.52
▸ PRKCI P41743 1/20 0.47
▸ CASP1 P29466 3/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ MAPT P10636 4/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALOX15 P16050 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ HPGD P15428 2/20 0.42

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
SCHEMBL3197665 0.86 PDE10A (0.52) APPPDE10APRKCICASP1CA1
SCHEMBL15490156 0.82 TSHR (0.52) APPPDE10APRKCICASP1CA1
Hydrochloric Acid SCHEMBL15486297 0.80 TSHR (0.50) APPPDE10APRKCICASP1CA1
SCHEMBL11811790 0.78 CYP3A4 (0.46) APPPDE10ACASP1TSHRACHE
SCHEMBL7756464 0.77 PRKCI (0.56) PDE10APRKCICASP1CA1CA2
SCHEMBL1708820 0.76 CHEK1 (0.45) PDE10APRKCICASP1TSHRMAPT
SCHEMBL9079910 0.76 ALDH1A1 (0.61) APPCASP1CA1CA2TSHR
SCHEMBL7884400 0.75 PDE10A (0.45) PDE10APRKCICASP1CA1CA2
SCHEMBL31158047 0.74 TRPA1 (0.54) APPCASP1TSHRMAPTGAA
SCHEMBL636392 0.74 TRPA1 (0.54) APPCASP1TSHRMAPTGAA

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
EP-0868165-A1 MEANS AND METHOD FOR TINTING KERATIN FIBERS Wella Aktiengesellschaft (DE) 1998-10-07 — — EP claimed
WO-1998017235-A1 MEANS AND METHOD FOR TINTING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-04-30 — — WO claimed
CN-110330479-A A kind of antitumoral compounds and application thereof as AXL inhibitor 南京华威医药科技集团有限公司 2019-10-15 — — CN disclosed
WO-2017159484-A1 2,4-DIAMINOPHENOL DERIVATIVE, AND AGENT FOR INHIBITING AGGREGATION OF TAU AND/OR AMYLOID β 学校法人同志社 2017-09-21 — — WO disclosed
CN-1085218-C Olefin polymerization catalyst ASAHI CHEMICAL IND (JP) 2002-05-22 — — CN disclosed
EP-0868165-A1 MEANS AND METHOD FOR TINTING KERATIN FIBERS Wella Aktiengesellschaft (DE) 1998-10-07 — — EP disclosed
WO-1998017235-A1 MEANS AND METHOD FOR TINTING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-04-30 — — WO disclosed
US-4517005-A Aminophenol urease inhibitors and urease inhibited urea based fertilizer compositions ALLIED CORPORATION (US) 1985-05-14 — — US disclosed
Send feedback