SCHEMBL7465949

SCHEMBL7465949

CC(=O)c1occc1-c1cc(N(CCO)CCO)ccc1N

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
S100B P04271 1/20 0.31
MAPT P10636 3/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
MCL1 Q07820 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
MMP14 P50281 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7464284 0.83 S100B (0.37) TDP1ALDH1A1TSHRS100BMAPT
SCHEMBL7808714 0.81 CHRM2 (0.33) TDP1ALDH1A1TSHRS100BMAPT
SCHEMBL7457845 0.80 S100B (0.35) TDP1S100BMAPTMEN1KMT2A
SCHEMBL7560439 0.80 S100B (0.32) TDP1S100BMAPTMEN1KMT2A
SCHEMBL7467223 0.79 ALDH1A1 (0.32) TDP1ALDH1A1TSHRMAPTMEN1
SCHEMBL7556229 0.78 KMT2A (0.32) TDP1ALDH1A1TSHRMAPTMEN1
SCHEMBL7466346 0.78 MAPT (0.33) TDP1ALDH1A1TSHRS100BMAPT
SCHEMBL7453673 0.78 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL7807510 0.78 CHRM2 (0.32) TDP1ALDH1A1TSHRS100BMAPT
SCHEMBL7466598 0.77 THRB (0.36) TDP1ALDH1A1TSHRMAPTMEN1

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