SCHEMBL7800903

SCHEMBL7800903

CC(=O)c1ccsc1-c1cc(N)ccc1N(CCO)CCO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 1/20 0.33
PABPC1 P11940 1/20 0.32
PTGS1 P23219 1/20 0.30

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
SCHEMBL7800923 0.82 ALDH1A1 (0.31) ALDH1A1MEN1KMT2APABPC1
SCHEMBL7456111 0.82 ALDH1A1 (0.33) ALDH1A1MEN1KMT2APABPC1
SCHEMBL7807315 0.82 CYP2A6 (0.40) ALDH1A1
SCHEMBL7805966 0.81
SCHEMBL7467274 0.80 ALDH1A1 (0.33) ALDH1A1MEN1KMT2APABPC1
SCHEMBL7800850 0.79 ALDH1A1 (0.30) ALDH1A1MAPTHPGD
SCHEMBL7807463 0.79
SCHEMBL7807709 0.78 CHRM2 (0.33) ALDH1A1MEN1KMT2APABPC1
SCHEMBL7812308 0.78 MAPT (0.33) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7800663 0.77 MAPT (0.39) ALDH1A1MEN1KMT2AMAPTHPGD

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