SCHEMBL7800673

SCHEMBL7800673

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
GSK3B P49841 1/20 0.33
PI4KB Q9UBF8 1/20 0.31
ABL1 P00519 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
MCL1 Q07820 1/20 0.30
S100B P04271 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
MMP14 P50281 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
SCHEMBL7800854 0.82 S100B (0.36) TDP1ALDH1A1TSHRMAPTGAA
SCHEMBL7808484 0.81 PRKCI (0.33) TDP1MAPTGAAPKMHTT
SCHEMBL6572986 0.81 HSD17B1 (0.39) ALDH1A1MAPTGAAMCL1MEN1
SCHEMBL7807497 0.80 S100B (0.34) TDP1MAPTGAAPKMHTT
SCHEMBL7807720 0.79 ALDH1A1 (0.31) TDP1ALDH1A1TSHRMAPTMEN1
SCHEMBL7800655 0.79 FYN (0.39) GSK3BABL1ALDH1A1MAPTGAA
SCHEMBL7807495 0.79 KMT2A (0.32) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL7809754 0.78 ALDH1A1 (0.34) CA2GSK3BABL1ALDH1A1MAPT
SCHEMBL7451320 0.78 MAPT (0.36) TDP1ALDH1A1TSHRMAPTGAA
SCHEMBL7462051 0.78 BCAT2 (0.33) TDP1ALDH1A1TSHRMAPTGAA

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