SCHEMBL7108425

SCHEMBL7108425

COc1nc(Cl)nc(C(Cl)(Cl)Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48

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
SCHEMBL9432184 0.79 CYP1A2 (0.61) CYP1A2
SCHEMBL2905410 0.78 CYP1A2 (0.35) CYP1A2
Penclomedine SCHEMBL188460 0.78 CYP1A2 (0.35) CYP1A2
SCHEMBL11017179 0.73 CYP1A2 (0.80) CYP1A2
SCHEMBL9432085 0.71 CYP1A2 (0.53) CYP1A2
SCHEMBL10745153 0.70 ALDH1A1 (0.35) CYP1A2
SCHEMBL10013346 0.69 ABCB11 (0.35)
SCHEMBL19841177 0.68
SCHEMBL16092619 0.67 CYP1A2 (0.48) CYP1A2
SCHEMBL11118869 0.67 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751170-B1 Silicone derivatives, their production and use CHIBA FLOUR MILLING (JP) 2003-01-22 EP disclosed
US-5859243-A AMINOSILICONES HAVING PYRIMIDINYL GROUPS BOUND TO THE AMINO GROUPS; USED TO GEL SILICONE OIL OR TO INCREASE THE VISCOSITY STABLY AND HOMOGENEOUSLY; BASES FOR COSMETICS, DRUGS, INDUSTRIAL MATERIAL; FEEL; TEXTURE CHIBA FLOUR MILLING CO., LTD. (JP) 1999-01-12 US disclosed
US-5712391-A POLYSILOXANES MODIFIED WITH TRIAZINE GROUPS AND DIAMINE COMPOUNDS FOR COSMETICS CHIBA FLOUR MILLING CO., LTD. (JP) 1998-01-27 US disclosed
EP-0751170-A2 Silicone derivatives, their production and use Chiba Flour Milling Co., Ltd. (JP) 1997-01-02 EP disclosed