SCHEMBL9807963

SCHEMBL9807963

N=c1nc2c3ccccc3ccn2nc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 7/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
HTR6 P50406 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
MMP14 P50281 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL9807973 0.82 KDM4E (0.40) ALDH1A1MAPTKDM4ENPC1KMT2A
SCHEMBL9808007 0.78 MAPT (0.41) ALDH1A1MAPTKDM4ENPC1KMT2A
SCHEMBL11416817 0.78 DHODH (0.50) ALDH1A1MAPTKDM4ENPC1KMT2A
SCHEMBL9807926 0.76 GSK3B (0.41) ALDH1A1MAPTKDM4ENPC1KMT2A
SCHEMBL11262382 0.75 DHODH (0.55) MAPTNPC1KMT2AMEN1RAB9A
SCHEMBL11246290 0.73 CYP11B2 (0.43) ALDH1A1MAPTKDM4ENPC1KMT2A
SCHEMBL11250627 0.72 DHODH (0.45) DHODHPARP1
SCHEMBL21306416 0.71 PDE10A (0.48) ALDH1A1MAPTKDM4ENPC1KMT2A
SCHEMBL12145408 0.70 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ENPC1KMT2A
SCHEMBL11419299 0.70 HSD17B2 (0.47) ALDH1A1MAPTNPC1KMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994448-A Analgesics, anesthetics, muscle relaxants EGIS GYOGYSZERGYAR (HU) 1991-02-19 US disclosed