SCHEMBL7807616

SCHEMBL7807616

CN(CC(O)CO)c1ccc(N)cc1-c1cccs1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
MAPT P10636 5/20 0.32
ALDH1A1 P00352 4/20 0.32
GAA P10253 3/20 0.32
KEAP1 Q14145 1/20 0.32
KDM4E B2RXH2 4/20 0.32
RAB9A P51151 4/20 0.32
NPC1 O15118 3/20 0.32
TP53 P04637 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GFER P55789 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32

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
SCHEMBL7800630 0.88 MAPT (0.33) ARNR3C1PGRMAPTALDH1A1
SCHEMBL7812174 0.82 TDP1 (0.43) ARNR3C1PGRMAPTALDH1A1
SCHEMBL7807635 0.78 HDAC2 (0.36) MAPTALDH1A1GAAKEAP1RAB9A
SCHEMBL7455584 0.78 IMPDH2 (0.38) MAPTHSD17B10KMT2ATDO2KCNH2
SCHEMBL7800647 0.77 NPC1 (0.40) ARNR3C1PGRMAPTALDH1A1
Hydrochloric Acid SCHEMBL7805958 0.76 NPC1 (0.39) ARNR3C1PGRMAPTALDH1A1
SCHEMBL7807677 0.76 MKNK1 (0.31)
SCHEMBL7800687 0.76 TAAR1 (0.35) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL7805921 0.76
SCHEMBL7806018 0.75 HDAC1 (0.38) ARNR3C1PGRMAPTALDH1A1

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