SCHEMBL6506543

SCHEMBL6506543

Cc1c(N)ccc(N)c1CCO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CYP3A4 P08684 3/20 0.39
PIK3CA P42336 1/20 0.39
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.32
TDP1 Q9NUW8 3/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SKP2 Q13309 1/20 0.31
CA2 P00918 1/20 0.30

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
Sulfuric Acid SCHEMBL9331833 0.90 ALDH1A1 (0.35) TSHRCYP3A4PIK3CAALDH1A1HTT
Sulfuric Acid SCHEMBL9332879 0.89 ALDH1A1 (0.34) TSHRCYP3A4PIK3CAALDH1A1HTT
SCHEMBL8812744 0.87 ALDH1A1 (0.34) TSHRCYP3A4PIK3CAALDH1A1HTT
SCHEMBL457335 0.85 TSHR (0.33) TSHRCYP3A4PIK3CAALDH1A1HTT
SCHEMBL10997693 0.85 TSHR (0.34) TSHRCYP3A4PIK3CAALDH1A1HTT
SCHEMBL460054 0.83 TDP1 (0.38) TSHRCYP3A4ALDH1A1HTTGAA
SCHEMBL924138 0.80 ALDH1A1 (0.35) TSHRCYP3A4ALDH1A1HTTGAA
SCHEMBL27724272 0.79 KCNJ1 (0.32) TSHRALDH1A1HTT
SCHEMBL28196248 0.78 POLB (0.37) TSHRCYP3A4ALDH1A1HTTGAA
SCHEMBL8036530 0.78 KDM4E (0.41) TSHRCYP3A4ALDH1A1HTTGAA

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
EP-0329016-B1 Colour-photographic recording material AGFA GEVAERT AG (DE) 1994-03-23 EP claimed
WO-2005014591-A1 2-ACYLAMINO OR 2-SULFONYLAMINO-1, 3-THIAZOLES AS COUPLERS FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2005-02-17 WO disclosed
EP-1399780-A1 METHOD FOR PURIFYING FREE-BASE P-PHENYLENEDIAMINE-TYPE PHOTOGRAPHIC COLOR DEVELOPERS EASTMAN CHEMICAL COMPANY (US) 2004-03-24 EP disclosed
WO-2003003115-A1 METHOD FOR PURIFYING FREE-BASE P-PHENYLENEDIAMINE-TYPE PHOTOGRAPHIC COLOR DEVELOPERS EASTMAN CHEMICAL COMPANY (US) 2003-01-09 WO disclosed
US-4150993-A AMINEBORANE COMPOUND KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-04-24 US disclosed
US-4054413-A PREFORMED SOLUTION OF TRIACETATE OF A BENZENETRIOL, A P-PHENYLENEDIAMINE CLAIROL INCORPORATED (US) 1977-10-18 US disclosed