SCHEMBL7976244

SCHEMBL7976244

NNC(=O)c1[c]ccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
OGG1 O15527 2/20 0.43
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
KMT2A Q03164 1/20 0.41
NCOA1 Q15788 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
MMP3 P08254 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL9106594 0.83 PLK1 (0.54) GAAALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1229740 0.80 KDM4E (0.43) GAAMAPTALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL8169298 0.79 KDM4E (0.42) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL20507043 0.78 CYP1A2 (0.40) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL2517773 0.78 NR4A1 (0.48) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL11441210 0.77 KCNJ11 (0.40) ALDH1A1KDM4EKMT2AHDAC8RAB9A
SCHEMBL7308954 0.77 ALDH1A1 (0.44) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL9298921 0.77 NR4A1 (0.38) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL6228359 0.76 NPC1 (0.49) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7517735 0.76 NCEH1 (0.43) GAAMAPTALDH1A1KDM4EMEN1

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
US-6271247-B1 BINDING TO NEUROPEPTIDE RECEPTORS ADIR ET COMPAGNIE (FR) 2001-08-07 US disclosed
US-6172108-B1 NEUROPEPTIDE Y RECEPTOR LIGANDS; TREATING PSYCHOLOGICAL, EATING, SLEEP, AND SEXUAL DISORDERS; HYPOTENSIVE, ANXIOLYTIC, ANTIDEPRESSANT, AND ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 2001-01-09 US disclosed