SCHEMBL7467223

SCHEMBL7467223

Nc1ccc(N(CCO)CCO)cc1-c1ccoc1C=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7556229 0.82 KMT2A (0.32) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL7464284 0.81 S100B (0.37) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL7812302 0.81 ALDH1A1 (0.31) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL7465949 0.79 TDP1 (0.31) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL7560439 0.78 S100B (0.32) TDP1KMT2AMEN1MAPTLMNA
SCHEMBL7457845 0.78 S100B (0.35) TDP1KMT2AMEN1MAPTLMNA
SCHEMBL7460327 0.77 MEN1 (0.30) KMT2AMEN1
SCHEMBL7461712 0.77 ALDH1A1 (0.32) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL6572933 0.76 KMT2A (0.37) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL7812291 0.76 ALDH1A1 (0.31) ALDH1A1TSHRTDP1KMT2AMEN1

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