SCHEMBL9158496

SCHEMBL9158496

Cc1cccc(Nc2cccc(Nc3cccc(C)c3)c2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.82
MAPT P10636 4/20 0.60
CYP1A2 P05177 2/20 0.60
HTT P42858 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.59
AR P10275 1/20 0.59
NFKB1 P19838 1/20 0.57
ACHE P22303 1/20 0.55
HSD17B10 Q99714 1/20 0.54
GAA P10253 2/20 0.52
ADORA2A P29274 1/20 0.50
HAVCR2 Q8TDQ0 1/20 0.50
CCR4 P51679 1/20 0.49
EGFR P00533 1/20 0.49

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
SCHEMBL1690867 0.97 NPSR1 (0.78) NPSR1MAPTCYP1A2HTTCYP3A4
SCHEMBL29650380 0.97 NPSR1 (0.86) NPSR1MAPTCYP1A2HTTCYP3A4
SCHEMBL1009206 0.97 NPSR1 (0.86) NPSR1MAPTCYP1A2HTTCYP3A4
SCHEMBL9185081 0.95 NPSR1 (0.75) NPSR1MAPTCYP1A2HTTCYP3A4
Water SCHEMBL8601146 0.95 NPSR1 (0.82) NPSR1MAPTCYP1A2HTTCYP3A4
SCHEMBL25853283 0.93 NPSR1 (0.95) NPSR1MAPTCYP1A2HTTCYP3A4
SCHEMBL30145137 0.92 NPSR1 (0.86) NPSR1MAPTCYP1A2HTTCYP3A4
SCHEMBL10523964 0.92 NPSR1 (0.86) NPSR1MAPTCYP1A2HTTCYP3A4
SCHEMBL1922070 0.92 NPSR1 (0.86) NPSR1MAPTCYP1A2HTTCYP3A4
SCHEMBL234363 0.90 NPSR1 (1.00) NPSR1MAPTCYP1A2HTTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2036270-A None JP disclosed
EP-0353067-B1 Electrophotographic photosensitive material containing m-phenylenediamine compound MITA INDUSTRIAL CO LTD (JP) 1995-04-12 EP disclosed
EP-0390195-B1 Electrophotosensitive material MITA INDUSTRIAL CO LTD (JP) 1994-03-02 EP disclosed
US-5004662-A Having increased sensitivity and mobility MITA INDUSTRIAL CO., LTD. (JP) 1991-04-02 US disclosed
JP-H0236270-A M-PHENYLENEDIAMINE COMPOUND AND PHOTOSENSITIVE MATERIAL FOR ELECTROPHOTOGRAPHY USING SAID COMPOUND MITA IND CO LTD 1990-02-06 JP disclosed
EP-0353067-A2 Electrophotographic photosensitive material containing m-phenylenediamine compound MITA INDUSTRIAL CO., LTD. (JP) 1990-01-31 EP disclosed