SCHEMBL7556229

SCHEMBL7556229

NCc1occc1-c1cc(N(CCO)CCO)ccc1N

nearest known ligand 0.32

Predicted protein targets (top 11)

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
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
SCHEMBL7457845 0.88 S100B (0.35) KMT2AMEN1MAPTLMNATP53
SCHEMBL7464284 0.83 S100B (0.37) KMT2AMEN1MAPTLMNATP53
SCHEMBL7467223 0.82 ALDH1A1 (0.32) KMT2AMEN1MAPTLMNATP53
SCHEMBL7560439 0.80 S100B (0.32) KMT2AMEN1MAPTLMNATP53
SCHEMBL7805973 0.80 KMT2A (0.32) KMT2AMEN1MAPTLMNATP53
SCHEMBL7465949 0.78 TDP1 (0.31) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL6572913 0.76 KMT2A (0.38) KMT2AMEN1MAPTLMNATP53
SCHEMBL7456650 0.76
SCHEMBL7809878 0.76 CYP2A6 (0.37) KMT2AMEN1MAPTLMNATP53
SCHEMBL7460058 0.76 KMT2A (0.32) 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