SCHEMBL7807385

SCHEMBL7807385

Nc1c(Cl)cc(N(CCO)CCO)cc1-c1ccc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
MCL1 Q07820 1/20 0.34
BACE1 P56817 1/20 0.32
CDK2 P24941 1/20 0.31
STK4 Q13043 1/20 0.30
STK3 Q13188 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
SCHEMBL7812329 0.84 MAPT (0.36) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL7808744 0.80 MAPT (0.36) KMT2AMAPTMEN1LMNATP53
SCHEMBL7808894 0.76 MEN1 (0.32) KMT2AMAPTMEN1GAASTK4
SCHEMBL7809775 0.76 MEN1 (0.32) KMT2AMAPTMEN1GAASTK4
SCHEMBL7465818 0.76 KMT2A (0.36) KMT2AMAPTMEN1LMNATP53
SCHEMBL7800694 0.76 MEN1 (0.32) KMT2AMAPTMEN1STK4STK3
SCHEMBL7805928 0.74 KMT2A (0.39) KMT2AMAPTMEN1LMNATP53
SCHEMBL7800654 0.74 MAPT (0.39) KMT2AMAPTMEN1LMNATP53
SCHEMBL7808552 0.74 CYP3A4 (0.45) KMT2AMEN1CDK2
SCHEMBL7809608 0.72 MAPT (0.38) KMT2AMAPTMEN1LMNATP53

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 2 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
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed