SCHEMBL9022928

SCHEMBL9022928

Nc1ccc(N=Nc2ccc(N(CCO)CCO)cc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.49
MAPT P10636 7/20 0.49
RAB9A P51151 6/20 0.49
TDP1 Q9NUW8 6/20 0.49
MEN1 O00255 5/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
MMP14 P50281 1/20 0.49
PSMD14 O00487 2/20 0.38
MITF O75030 1/20 0.38
PKM P14618 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL9023308 1.00 KMT2A (0.49) KMT2AMAPTRAB9ATDP1MEN1
SCHEMBL107988 0.85 MAPT (0.61) KMT2AMAPTRAB9ATDP1MEN1
SCHEMBL9023255 0.85 KMT2A (0.42) KMT2AMAPTRAB9ATDP1MEN1
SCHEMBL9022499 0.85 KMT2A (0.42) KMT2AMAPTRAB9ATDP1MEN1
SCHEMBL9022512 0.85 KMT2A (0.43) KMT2AMAPTRAB9ATDP1MEN1
SCHEMBL7761808 0.85 KMT2A (0.43) KMT2AMAPTRAB9ATDP1MEN1
SCHEMBL107987 0.85 MAPT (0.61) KMT2AMAPTRAB9ATDP1MEN1
SCHEMBL29596363 0.85 MAPT (0.61) KMT2AMAPTRAB9ATDP1MEN1
SCHEMBL1011782 0.83 MAPT (0.52) KMT2AMAPTRAB9ATDP1MEN1
SCHEMBL4931488 0.83 MAPT (0.52) KMT2AMAPTRAB9ATDP1MEN1

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