SCHEMBL9023734

SCHEMBL9023734

CN(C)CCNc1ccc(N)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NCF1 P14598 2/20 0.42
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
NR1H2 P55055 1/20 0.37
CHEK1 O14757 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC2A1 P11166 1/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SYK P43405 1/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
PDE3B Q13370 2/20 0.34

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
SCHEMBL1408440 0.90 POLB (0.42) POLBGLAGAATSHRNCF1
SCHEMBL9363550 0.81 POLB (0.49) POLBGLAGAATSHRALDH1A1
SCHEMBL9366740 0.80 PDE3B (0.48) POLBGLAGAATSHRALDH1A1
SCHEMBL25873234 0.80 POLB (0.44) POLBGLAGAATSHRALDH1A1
SCHEMBL9024554 0.80 NCF1 (0.44) NCF1ALDH1A1NPSR1HRH3KMT2A
SCHEMBL9366724 0.80 ALDH1A1 (0.49) POLBGLAGAATSHRALDH1A1
SCHEMBL15585982 0.79 NCF1 (0.47) NCF1ALDH1A1NPSR1HRH3SLC2A1
SCHEMBL1927879 0.79 GAA (0.50) POLBGLAGAATSHRALDH1A1
SCHEMBL9362895 0.79 PDE3B (0.49) POLBGLAGAATSHRNCF1
SCHEMBL9023870 0.79 POLB (0.43) POLBGLAGAATSHRALDH1A1

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-0544400-B1 P-Phenylenediamine substituted by a quaternary ammonium group and an electron withdrawing group BRISTOL MYERS SQUIBB CO (US) 1996-03-13 EP disclosed
EP-0299497-B1 Dye composition for keratinous fiber KAO CORP (JP) 1994-02-16 EP disclosed
EP-0544400-A2 P-Phenylenediamine substituted by a quaternary ammonium group and an electron withdrawing group Bristol-Myers Squibb Company (US) 1993-06-02 EP disclosed
US-5198584-A Developers for hair dyes CLAIROL INC. (US) 1993-03-30 US disclosed
US-5139532-A In a tinctorially effective hair dye developer also containing and an adjuvant selected from surfactans, alkalizing agents, thickeners, chealting agents and perfumes CLAIROL, INC. (US) 1992-08-18 US disclosed
US-5041608-A Dte developers KAO CORPORATION (JP) 1991-08-20 US disclosed
US-4871372-A AS DEVELOPER A TRIFLUOROMETHYLATED P-PHENYLENEDIAMINE KAO CORPORATION (JP) 1989-10-03 US disclosed
EP-0299497-A2 Dye composition for keratinous fiber Kao Corporation (JP) 1989-01-18 EP disclosed