SCHEMBL9251298

SCHEMBL9251298

C=CCC1Nc2cccc3cccc(c23)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 20/20 0.49
KMT2A Q03164 20/20 0.49
GAA P10253 9/20 0.49
NPC1 O15118 3/20 0.46
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 7/20 0.42
MAPT P10636 7/20 0.42
HPGD P15428 4/20 0.42
ALOX15 P16050 4/20 0.42
HSD17B10 Q99714 3/20 0.42
MCL1 Q07820 3/20 0.42
KDM4E B2RXH2 3/20 0.42
USP2 O75604 2/20 0.42
THRB P10828 2/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL28014670 0.75 MEN1 (0.43) MEN1KMT2AGAANPC1POLB
SCHEMBL9251303 0.75 ALDH1A1 (0.43) MEN1KMT2AGAANPC1POLB
SCHEMBL11509136 0.72 MEN1 (0.49) MEN1KMT2AGAANPC1POLB
SCHEMBL1083163 0.71 TNKS2 (0.46) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL11333477 0.68 MEN1 (0.46) MEN1KMT2AGAANPC1POLB
SCHEMBL16223065 0.68 MEN1 (0.44) MEN1KMT2AGAANPC1POLB
SCHEMBL10078299 0.67 MEN1 (0.55) MEN1KMT2AGAANPC1POLB
SCHEMBL15040890 0.67 MEN1 (0.55) MEN1KMT2AGAANPC1POLB
SCHEMBL13330038 0.67 MEN1 (0.55) MEN1KMT2AGAANPC1POLB
SCHEMBL27894628 0.67 MEN1 (0.50) MEN1KMT2AGAANPC1POLB

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-0406812-A2 Process for the preparation of NiNi-dialkyl-1,8-naphthalene diamine HERCULES INCORPORATED (US) 1991-01-09 EP claimed
EP-0406812-B1 Process for the preparation of NiNi-dialkyl-1,8-naphthalene diamine HERCULES INC (US) 1995-02-15 EP disclosed
EP-0406812-A2 Process for the preparation of NiNi-dialkyl-1,8-naphthalene diamine HERCULES INCORPORATED (US) 1991-01-09 EP disclosed