SCHEMBL7812166

SCHEMBL7812166

NCc1ccsc1-c1cc(N(CCO)CCO)ccc1N

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL7808530 0.88 S100B (0.34) KMT2AMEN1MAPTLMNATP53
SCHEMBL7800733 0.83 CYP2A6 (0.40) KMT2AMEN1MAPTLMNATP53
SCHEMBL7812328 0.81 S100B (0.31) KMT2AMEN1MAPTLMNATP53
SCHEMBL7461570 0.80 KMT2A (0.32) KMT2AMEN1MAPTLMNATP53
SCHEMBL7812255 0.80 ALDH1A1 (0.31) KMT2AMEN1MAPT
SCHEMBL7812308 0.79 MAPT (0.33) KMT2AMEN1MAPTLMNAATM
SCHEMBL7466345 0.77 KMT2A (0.32) KMT2AMEN1MAPTLMNATP53
SCHEMBL27494177 0.77 MAPT (0.39) KMT2AMEN1MAPTLMNATP53
SCHEMBL7807463 0.76
SCHEMBL7460447 0.76 S100B (0.36) KMT2AMEN1MAPTLMNATP53

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