SCHEMBL7809754

SCHEMBL7809754

CC(=O)c1csc(-c2cc(N)ccc2N(CCO)CCO)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CA2 P00918 1/20 0.34
GSK3B P49841 1/20 0.33
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
ABL1 P00519 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL7692527 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6570709 0.81 ALDH1A1 (0.44) ALDH1A1MEN1PABPC1KMT2ANPC1
SCHEMBL7806024 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7809735 0.80 ALDH1A1 (0.31) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL7805987 0.79 ALDH3A1 (0.32) ALDH1A1
SCHEMBL7807504 0.79 ALDH1A1 (0.37) ALDH1A1GSK3BMEN1PABPC1KMT2A
SCHEMBL7807490 0.79
SCHEMBL7800673 0.78 CA2 (0.34) ALDH1A1CA2GSK3BMEN1KMT2A
SCHEMBL7456486 0.78 MAPT (0.36) ALDH1A1MEN1PABPC1KMT2AMAPT
SCHEMBL7456111 0.78 ALDH1A1 (0.33) ALDH1A1MEN1PABPC1KMT2A

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