SCHEMBL9807973

SCHEMBL9807973

O=c1nc2c3ccccc3ccn2nc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MAPT P10636 4/20 0.39
KMT2A Q03164 4/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
PRKDC P78527 2/20 0.36
NPSR1 Q6W5P4 4/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL9807963 0.82 ALDH1A1 (0.41) KDM4ENPC1ALDH1A1HSD17B10HPGD
SCHEMBL9807923 0.81 MAPT (0.41) KDM4ENPC1ALDH1A1HSD17B10HPGD
SCHEMBL11416817 0.78 DHODH (0.50) KDM4ENPC1ALDH1A1HSD17B10HPGD
SCHEMBL11262382 0.75 DHODH (0.55) NPC1MAPTKMT2AADORA1PARP1
SCHEMBL9807926 0.73 GSK3B (0.41) KDM4ENPC1ALDH1A1HPGDMAPT
SCHEMBL11246290 0.73 CYP11B2 (0.43) KDM4ENPC1ALDH1A1HSD17B10HPGD
SCHEMBL11250627 0.72 DHODH (0.45) ADORA1PARP1
SCHEMBL21306416 0.71 PDE10A (0.48) KDM4ENPC1ALDH1A1HSD17B10HPGD
SCHEMBL12145408 0.70 ALDH1A1 (0.43) KDM4ENPC1ALDH1A1HSD17B10HPGD
SCHEMBL9807880 0.68 RAB9A (0.41) KDM4ENPC1ALDH1A1MAPTKMT2A

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