SCHEMBL7808530

SCHEMBL7808530

CCc1ccsc1-c1cc(N(CCO)CCO)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 3/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
MCL1 Q07820 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
MMP14 P50281 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 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
SCHEMBL7812166 0.88 KMT2A (0.32) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL7800733 0.84 CYP2A6 (0.40) S100BTDP1ALDH1A1TSHRMAPT
SCHEMBL7812308 0.82 MAPT (0.33) S100BTDP1ALDH1A1TSHRMAPT
SCHEMBL7812328 0.82 S100B (0.31) S100BTDP1MAPTKMT2AMEN1
SCHEMBL7812255 0.81 ALDH1A1 (0.31) TDP1ALDH1A1TSHRMAPTKMT2A
SCHEMBL7459856 0.81 S100B (0.35) S100BTDP1MAPTKMT2AMEN1
SCHEMBL7461184 0.78 S100B (0.35) S100BTDP1ALDH1A1TSHRMAPT
SCHEMBL7460447 0.77 S100B (0.36) S100BTDP1ALDH1A1TSHRMAPT
SCHEMBL5348348 0.77 S100B (0.43) S100BTDP1ALDH1A1TSHRMAPT
SCHEMBL7457018 0.77 ALDH1A1 (0.32) TDP1ALDH1A1TSHRMAPTKMT2A

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