SCHEMBL7808604

SCHEMBL7808604

CNc1cc(CCOC)cc(-c2cccs2)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.36
HDAC2 Q92769 6/20 0.36
HDAC3 O15379 5/20 0.36
LTA4H P09960 1/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL7806004 0.85 LTA4H (0.38) HDAC1HDAC2HDAC3LTA4HHPGD
SCHEMBL7462797 0.78 MEN1 (0.35) HDAC1HDAC2HDAC3MAPTMEN1
SCHEMBL7806026 0.78 LTA4H (0.36) HDAC1HDAC2HDAC3LTA4HHPGD
SCHEMBL7807643 0.76 ALDH1A1 (0.35) HDAC1HDAC2HDAC3LTA4HHPGD
SCHEMBL7800814 0.75 ADORA2A (0.36) HDAC2HPGDMAPTALDH1A1MEN1
SCHEMBL7457119 0.72 CYP1A2 (0.31)
SCHEMBL7458545 0.72 CSNK2A1 (0.34) HDAC1HDAC2HDAC3ALDH1A1MEN1
SCHEMBL7460266 0.72
SCHEMBL7812159 0.69 KCNH2 (0.40) HDAC1HDAC2HDAC3LTA4HHPGD
SCHEMBL7809731 0.67 NCF1 (0.43) HDAC1HDAC2HDAC3LTA4HHPGD

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