SCHEMBL7807495

SCHEMBL7807495

NCc1csc(-c2cc(N(CCO)CCO)ccc2N)c1

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
SCHEMBL7807497 0.88 S100B (0.34) KMT2AMEN1MAPTLMNATP53
SCHEMBL7800854 0.83 S100B (0.36) KMT2AMEN1MAPTLMNATP53
SCHEMBL7808484 0.82 PRKCI (0.33) KMT2AMEN1MAPTLMNATP53
SCHEMBL7807720 0.80 ALDH1A1 (0.31) KMT2AMEN1MAPT
SCHEMBL7800673 0.79 CA2 (0.34) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7809878 0.77 CYP2A6 (0.37) KMT2AMEN1MAPTLMNATP53
SCHEMBL7807514 0.77 NPC1 (0.41) KMT2AMEN1MAPTATM
SCHEMBL7459443 0.76 KMT2A (0.32) KMT2AMEN1MAPTLMNATP53
SCHEMBL7807490 0.76
SCHEMBL7808508 0.75 LOXL2 (0.38)

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