SCHEMBL7459369

SCHEMBL7459369

Nc1ccc(N(CCO)CCO)cc1-c1coc(C=O)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL7451342 0.81 S100B (0.36) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL6572756 0.80 ALDH1A1 (0.40) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL7454723 0.80 KMT2A (0.32) MEN1MAPTKMT2A
SCHEMBL7459125 0.79 TDP1 (0.30) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL7465892 0.79 S100B (0.34) TDP1MEN1MAPTKMT2A
SCHEMBL7807416 0.79 KDM4E (0.38) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL7461036 0.79 S100B (0.31) TDP1MEN1MAPTKMT2A
SCHEMBL7466681 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7812291 0.78 ALDH1A1 (0.31) ALDH1A1TSHRTDP1MEN1MAPT
SCHEMBL7812302 0.78 ALDH1A1 (0.31) ALDH1A1TSHRTDP1MEN1MAPT

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