SCHEMBL7808744

SCHEMBL7808744

Nc1ccc(N(CCO)CCO)cc1-c1ccc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MCL1 Q07820 1/20 0.33
CDK2 P24941 5/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
S100B P04271 1/20 0.31
ADORA2A P29274 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 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
SCHEMBL7807476 0.86 MAP4K4 (0.37) MAPTADORA2AL3MBTL1
SCHEMBL7808809 0.82 S100B (0.32) CDK2S100B
SCHEMBL7807501 0.81 CDK2 (0.30) CDK2
SCHEMBL7812329 0.80 MAPT (0.36) MAPTKMT2AMEN1GAAPKM
SCHEMBL7807385 0.80 KMT2A (0.39) MAPTKMT2AMEN1GAAPKM
SCHEMBL6570961 0.77 ALDH1A1 (0.43) MAPTKMT2AMEN1GAAPKM
SCHEMBL7800962 0.77 ALDH1A1 (0.38) MAPTCDK2TP53TDP1ALDH1A1
SCHEMBL6571445 0.77 KMT2A (0.43) MAPTKMT2AMEN1GAAPKM
SCHEMBL7809775 0.77 MEN1 (0.32) MAPTKMT2AMEN1GAA
SCHEMBL7808698 0.77 ALDH1A1 (0.36) MAPTKMT2AMEN1GAACDK2

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