SCHEMBL7800630

SCHEMBL7800630

Nc1ccc(N(CC(O)CO)CC(O)CO)c(-c2cccs2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
GAA P10253 3/20 0.33
TP53 P04637 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GFER P55789 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.33
TDO2 P48775 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL7807616 0.88 AR (0.32) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL7800933 0.81 NPC1 (0.38) MAPTKDM4EALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL7807540 0.80 NPC1 (0.38) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL7800617 0.77 KCNH2 (0.37) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL7461381 0.77 IMPDH2 (0.39) MAPTHSD17B10TDO2KCNH2KMT2A
SCHEMBL7807408 0.74 MAPT (0.33) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL7800690 0.74 TAAR1 (0.36) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL7800941 0.74
SCHEMBL7812174 0.74 TDP1 (0.43) MAPTKDM4EALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL7807400 0.73 MAPT (0.33) MAPTKDM4EALDH1A1NPC1RAB9A

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