SCHEMBL9023255

SCHEMBL9023255

Nc1ccc(/N=N/c2ccc(N(CCO)CCO)cc2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.42
RAB9A P51151 8/20 0.42
MEN1 O00255 8/20 0.42
NPC1 O15118 7/20 0.42
MAPT P10636 7/20 0.42
TDP1 Q9NUW8 6/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
MMP14 P50281 1/20 0.42
HSP90AA1 P07900 1/20 0.40
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
PSMD14 O00487 2/20 0.38
MITF O75030 1/20 0.38
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL9022499 1.00 KMT2A (0.42) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL9022928 0.85 KMT2A (0.49) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL9023308 0.85 KMT2A (0.49) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL7761808 0.84 KMT2A (0.43) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL107988 0.84 MAPT (0.61) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL107987 0.84 MAPT (0.61) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL29596363 0.84 MAPT (0.61) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL9022512 0.84 KMT2A (0.43) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL1011782 0.82 MAPT (0.52) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL4931488 0.82 MAPT (0.52) KMT2ARAB9AMEN1NPC1MAPT

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-0600045-B1 HAIR DYE WELLA AG (DE) 1996-01-24 EP claimed
US-5409502-A Acid resistance WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed