SCHEMBL8337237

SCHEMBL8337237

O=[N+]([O-])c1ccc2c(CO)cc(-c3ccccn3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.52
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GPR35 Q9HC97 1/20 0.48
ELANE P08246 1/20 0.46
LMNA P02545 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CYP19A1 P11511 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
PRKCA P17252 1/20 0.44
CTSD P07339 2/20 0.43
EGFR P00533 2/20 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
SCHEMBL8334301 0.87 METAP1 (0.49) METAP1NPSR1NPC1MAPTRAB9A
SCHEMBL8338056 0.82 METAP1 (0.48) METAP1NPSR1NPC1RAB9AKDM4E
SCHEMBL7965613 0.80 CYP2C9 (0.55) METAP1NPSR1KDM4ERXFP1ADORA3
SCHEMBL8336808 0.78 NPSR1 (0.46) METAP1NPSR1NPC1MAPTRAB9A
SCHEMBL8335864 0.78 CBFB (0.46) METAP1NPSR1KDM4EKMT2AMEN1
SCHEMBL8333690 0.78 CBFB (0.46) METAP1NPSR1KDM4ELMNARXFP1
SCHEMBL8333603 0.78 CCR1 (0.51) METAP1NPSR1NPC1MAPTRAB9A
SCHEMBL8334580 0.78 NPC1 (0.47) METAP1NPSR1NPC1MAPTRAB9A
SCHEMBL8336614 0.78 KDM4E (0.54) METAP1NPSR1MAPTKDM4EADORA3
SCHEMBL13730584 0.74 CCR1 (0.55) METAP1NPSR1NPC1MAPTRAB9A

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-5969150-A FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES THE ROCKEFELLER UNIVERSITY (US) 1999-10-19 US disclosed