SCHEMBL7808580

SCHEMBL7808580

CCc1ccc(-c2cc(N(CCO)CCO)ccc2N)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.35
KMT2A Q03164 4/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MCL1 Q07820 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
MMP14 P50281 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7809878 0.88 CYP2A6 (0.37) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL7808574 0.84 S100B (0.36) S100BKMT2AMAPTMEN1NPC1
SCHEMBL7807609 0.82 S100B (0.35) S100BKMT2AMAPTMEN1NPC1
SCHEMBL7800655 0.80 FYN (0.39) MAPTLMNAGAAL3MBTL1CYP3A4
SCHEMBL7800679 0.78 APP (0.36) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL7456875 0.78 S100B (0.34) S100BKMT2AMAPTMEN1NPC1
SCHEMBL7807497 0.78 S100B (0.34) S100BKMT2AMAPTMEN1NPC1
SCHEMBL7464284 0.77 S100B (0.37) S100BKMT2AMAPTMEN1NPC1
SCHEMBL7809799 0.76 GRIN2B (0.31) KMT2AMEN1NPC1RAB9ACYP1A2
SCHEMBL7457845 0.76 S100B (0.35) S100BKMT2AMAPTMEN1NPC1

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