SCHEMBL7461570

SCHEMBL7461570

NCc1sccc1-c1cc(N(CCO)CCO)ccc1N

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KEAP1 Q14145 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7459856 0.88 S100B (0.35) KMT2AMEN1MAPTLMNATP53
SCHEMBL7460447 0.82 S100B (0.36) KMT2AMEN1MAPTLMNATP53
SCHEMBL7812166 0.80 KMT2A (0.32) KMT2AMEN1MAPTLMNATP53
SCHEMBL7460055 0.80 MAPT (0.34) KMT2AMEN1MAPTLMNATP53
SCHEMBL7462051 0.79 BCAT2 (0.33) KMT2AMEN1MAPTLMNATP53
SCHEMBL7457018 0.79 ALDH1A1 (0.32) KMT2AMEN1MAPTLMNATP53
SCHEMBL6572913 0.76 KMT2A (0.38) KMT2AMEN1MAPTLMNATP53
SCHEMBL4614878 0.76 CHEK2 (0.36) KMT2AMEN1MAPTLMNATP53
SCHEMBL7800733 0.76 CYP2A6 (0.40) KMT2AMEN1MAPTLMNATP53
SCHEMBL7809878 0.76 CYP2A6 (0.37) KMT2AMEN1MAPTLMNATP53

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