SCHEMBL10781389

SCHEMBL10781389

CCCCC(CC)C(c1ccc(N(Cc2ccc([N+](=O)[O-])cc2)Cc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N(Cc2ccc([N+](=O)[O-])cc2)Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ CRHBP P24387 2/20 0.40
▸ CRHR2 Q13324 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ PYCR1 P32322 1/20 0.37
▸ AR P10275 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35

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
SCHEMBL9750099 0.81 CYP2C19 (0.47) TSHRCNR2ALDH1A1
SCHEMBL10781391 0.77 CHRM2 (0.45) KCNH2ALDH1A1MEN1KMT2A
SCHEMBL11106441 0.75 CNR2 (0.46) L3MBTL1CYP3A4TSHRMAPK1TDP1
SCHEMBL6136683 0.72 MAPT (0.42) MAPTCRHBPCRHR2L3MBTL1CYP1A2
SCHEMBL29337376 0.72 NR1H2 (0.57) MAPTCRHBPCRHR2KCNH2ALDH1A1
SCHEMBL6607407 0.71 MAPT (0.58) MAPTCRHBPCRHR2L3MBTL1CYP1A2
SCHEMBL9392854 0.71 ALDH1A1 (0.62) MAPTALDH1A1MEN1KMT2A
SCHEMBL29334037 0.70 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1MAPK1
SCHEMBL3737073 0.70 KCNJ1 (0.51) MAPTCRHBPCRHR2MAPK1KCNH2
SCHEMBL2166937 0.69 MAPT (0.40) MAPTCRHBPCRHR2L3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0115198-B1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTIVE ELEMENTS TOMOEGAWA PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-03-11 — — EP disclosed
US-4539282-A SENSITIZED ZINC OXIDE, POLYCARBONATE BINDER AND AROMATIC DIAMINE TOMOEGAWA PAPER MANUFACTURING COMPANY LIMITED (JP) 1985-09-03 — — US disclosed
EP-0115198-A1 Electrophotographic photoconductive elements TOMOEGAWA PAPER MANUFACTURING COMPANY LIMITED (JP) 1984-08-08 — — EP disclosed
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