SCHEMBL8765461

SCHEMBL8765461

Cc1cc(C)c(N(c2cccc(N(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)c2)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2A6 P11509 2/20 0.37
RAPGEF4 Q8WZA2 11/20 0.35
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL13949243 0.90 ALDH1A1 (0.37) ACHECYP1A2CYP2A6RAPGEF4ALDH1A1
SCHEMBL13949227 0.87 ALDH1A1 (0.38) ACHECYP1A2CYP2A6RAPGEF4ALDH1A1
SCHEMBL22550359 0.86 CYP1A2 (0.41) ACHECYP1A2CYP2A6ALDH1A1TSHR
SCHEMBL24237963 0.86 L3MBTL1 (0.38) ACHECYP1A2CYP2A6RAPGEF4ALDH1A1
SCHEMBL31405487 0.86 ALDH1A1 (0.48) RAPGEF4ALDH1A1MAPK1
SCHEMBL30716053 0.86 L3MBTL1 (0.38) ACHECYP1A2CYP2A6RAPGEF4ALDH1A1
SCHEMBL16378584 0.82 ACHE (0.52) ACHERAPGEF4ALDH1A1TSHR
SCHEMBL8739832 0.82 HSD17B1 (0.39)
SCHEMBL8765758 0.82 RAPGEF4 (0.38) ACHECYP1A2CYP2A6RAPGEF4ALDH1A1
SCHEMBL3477723 0.81 CYP1A2 (0.41) ACHECYP1A2CYP2A6ALDH1A1TSHR

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
EP-0420207-B1 Electrophotosensitive material and method of manufacturing the same MITA INDUSTRIAL CO LTD (JP) 1997-08-13 EP disclosed
EP-0390196-B1 Electrophotosensitive material MITA INDUSTRIAL CO LTD (JP) 1995-09-20 EP disclosed
US-5185228-A Binder resin, charge transfer material; stability MITA INDUSTRIAL CO., LTD. (JP) 1993-02-09 US disclosed
US-5128229-A Polycarbonate, m-phenylenediamine derivative MITA INDUSTRIAL CO., LTD. (JP) 1992-07-07 US disclosed
US-5059503-A Used for copying machine MITA INDUSTRIAL CO., LTD. (JP) 1991-10-22 US disclosed
EP-0413338-A1 Electrophotosensitive material MITA INDUSTRIAL CO. LTD. (JP) 1991-02-20 EP disclosed
EP-0390196-A2 Electrophotosensitive material MITA INDUSTRIAL CO., LTD. (JP) 1990-10-03 EP disclosed