SCHEMBL9251303

SCHEMBL9251303

C=CCC1Cc2cccc3cccc(c23)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 15/20 0.40
KMT2A Q03164 15/20 0.40
GAA P10253 6/20 0.40
NPC1 O15118 2/20 0.37
MAPT P10636 6/20 0.36
MAPK1 P28482 4/20 0.36
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
THRB P10828 3/20 0.35
USP2 O75604 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
MCL1 Q07820 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL3055775 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL29756469 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL2259015 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL9251298 0.75 MEN1 (0.49) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL11333479 0.75 MEN1 (0.40) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL8755474 0.74 MEN1 (0.44) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL10924393 0.74 PRKCD (0.40) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL6705874 0.71 MTNR1A (0.49) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL11771368 0.70 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL5449210 0.69 MTNR1A (0.52) ALDH1A1KDM4EMEN1KMT2AMAPT

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