SCHEMBL7809608

SCHEMBL7809608

Cn1cccc1-c1cc(N(CCO)CCO)cc(Cl)c1N

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
MCL1 Q07820 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RORC P51449 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
SCHEMBL7812154 0.86 MAPT (0.36) MAPTKMT2AMEN1GAAPKM
SCHEMBL7808513 0.81 MAPT (0.35) MAPTKMT2AMEN1GAAPKM
SCHEMBL7456698 0.78 KMT2A (0.35) MAPTKMT2AMEN1GAAPKM
SCHEMBL7800650 0.78 CRHR1 (0.32) MAPTKMT2AMEN1GAAPKM
SCHEMBL7807699 0.78 RORC (0.32) MAPTKMT2AMEN1GAAPKM
SCHEMBL7808527 0.78 CRHR1 (0.32) MAPTKMT2AMEN1GAAPKM
SCHEMBL7808458 0.75 CYP3A4 (0.42) MAPTKMT2AMEN1GAASMN1; SMN2
SCHEMBL7808559 0.73 MEN1 (0.31) KMT2AMEN1
SCHEMBL7800920 0.73 MAP4K4 (0.34) MAPT
SCHEMBL7807385 0.72 KMT2A (0.39) MAPTKMT2AMEN1GAAPKM

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