SCHEMBL7800846

SCHEMBL7800846

NCc1coc(-c2cc(N(CCO)CCO)ccc2N)c1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
MMP14 P50281 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31
ATM Q13315 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
SCHEMBL7809738 0.88 S100B (0.34) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7807486 0.83 S100B (0.36) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7812315 0.82 S100B (0.32) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7812291 0.80 ALDH1A1 (0.31) KMT2AMEN1MAPTTDP1
SCHEMBL7807510 0.80 CHRM2 (0.32) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7809825 0.77 CYP2A6 (0.37) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7809772 0.77 ADORA2A (0.39) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7454723 0.76 KMT2A (0.32) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL7807628 0.76
SCHEMBL7807386 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