SCHEMBL7807408

SCHEMBL7807408

Nc1ccc(NCC(O)CO)c(-c2cccs2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
GAA P10253 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GFER P55789 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
Hydrochloric Acid SCHEMBL7807400 0.99 MAPT (0.33) MAPTKDM4ENPC1RAB9AGAA
SCHEMBL7807615 0.88 ADORA1 (0.32) MAPTKDM4ENPC1RAB9AGAA
SCHEMBL7805982 0.81 ADORA1 (0.43) MAPTKDM4ENPC1RAB9AGAA
Hydrochloric Acid SCHEMBL7805948 0.80 ADORA1 (0.43) MAPTKDM4ENPC1RAB9AGAA
SCHEMBL7691230 0.80 AR (0.33) MAPTSMN1; SMN2TDP1HDAC2HDAC3
SCHEMBL6571461 0.80 CHEK1 (0.41) KCNH2
SCHEMBL6574847 0.79 PDE3B (0.37) AR
SCHEMBL7812171 0.79 ALDH1A1 (0.41) MAPTKDM4ENPC1RAB9AGAA
SCHEMBL6571859 0.79 KDM4E (0.37) MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6572537 0.79 CHEK1 (0.40) KCNH2

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