SCHEMBL7800733

SCHEMBL7800733

Cc1ccsc1-c1cc(N(CCO)CCO)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.40
S100B P04271 1/20 0.39
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
MMP14 P50281 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL7812328 0.84 S100B (0.31) S100BMAPTKMT2AMEN1LMNA
SCHEMBL7808530 0.84 S100B (0.34) S100BMAPTKMT2AMEN1LMNA
SCHEMBL7812166 0.83 KMT2A (0.32) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL7460447 0.82 S100B (0.36) S100BMAPTKMT2AMEN1LMNA
SCHEMBL7812308 0.82 MAPT (0.33) S100BMAPTKMT2AMEN1LMNA
SCHEMBL7812255 0.81 ALDH1A1 (0.31) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL7451983 0.78 S100B (0.41) CYP2A6S100BMAPTKMT2AMEN1
SCHEMBL7459856 0.77 S100B (0.35) S100BMAPTKMT2AMEN1LMNA
SCHEMBL7460055 0.77 MAPT (0.34) S100BMAPTKMT2AMEN1LMNA
SCHEMBL7457018 0.76 ALDH1A1 (0.32) MAPTKMT2AMEN1LMNASMN1; SMN2

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