SCHEMBL7459378

SCHEMBL7459378

CC(=O)c1cc(-c2cc(N)ccc2N(CCO)CCO)co1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR4 O95977 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL7466630 0.82 ALDH1A1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL6570709 0.81 ALDH1A1 (0.44) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL7459176 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7460481 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7466681 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7805971 0.79 ALDH1A1 (0.35) ALDH1A1MEN1PABPC1KMT2A
SCHEMBL7812181 0.79 ALDH1A1 (0.36) ALDH1A1MEN1PABPC1KMT2A
SCHEMBL7459598 0.79
SCHEMBL7459125 0.78 TDP1 (0.30) ALDH1A1MEN1KMT2A
SCHEMBL7461045 0.77 FLT3 (0.36) ALDH1A1MEN1KMT2AS1PR4PTGDR2

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-0963982-B1 New diaminobenzene derivatives and these componends containing colouring agents WELLA AG (DE) 2002-03-13 EP disclosed
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP disclosed