SCHEMBL7800655

SCHEMBL7800655

CC(=O)c1ccc(-c2cc(N(CCO)CCO)ccc2N)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.39
ERN1 O75460 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B2 P37059 4/20 0.36
HSD17B1 P14061 3/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL7808574 0.82 S100B (0.36) ALDH1A1LMNAGAAMAPTL3MBTL1
SCHEMBL7808580 0.80 S100B (0.35) LMNAGAAMAPTL3MBTL1CYP3A4
SCHEMBL7807609 0.80 S100B (0.35) LMNAGAAMAPTL3MBTL1
SCHEMBL7451320 0.79 MAPT (0.36) ALDH1A1LMNAGAAMAPTL3MBTL1
SCHEMBL7800673 0.79 CA2 (0.34) ALDH1A1LMNAGAAMAPTL3MBTL1
SCHEMBL7800679 0.79 APP (0.36) ALDH1A1LMNAMAPTCYP3A4CYP2A6
SCHEMBL7462051 0.79 BCAT2 (0.33) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL7809878 0.78 CYP2A6 (0.37) ALDH1A1LMNAMAPTCYP3A4CYP2A6
SCHEMBL7807504 0.78 ALDH1A1 (0.37) FYNERN1ALDH1A1LMNAKDM4E
SCHEMBL7808468 0.77 LMNA (0.45) FYNERN1ALDH1A1LMNAKDM4E

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-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed