SCHEMBL8562464

SCHEMBL8562464

CNC(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.72
NPC1 O15118 9/20 0.72
SMN1; SMN2 Q16637 6/20 0.72
POLB P06746 2/20 0.72
MAPT P10636 2/20 0.72
KDM4E B2RXH2 6/20 0.67
KDR P35968 4/20 0.64
HSD17B10 Q99714 3/20 0.62
LMNA P02545 2/20 0.62
TSHR P16473 2/20 0.62
MITF O75030 1/20 0.62
XBP1 P17861 1/20 0.62
PAX8 Q06710 1/20 0.62
KLF5 Q13887 1/20 0.62
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
ALDH1A1 P00352 3/20 0.59
TRPV1 Q8NER1 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NOTUM Q6P988 1/20 0.58

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
SCHEMBL27866684 0.90 NPC1 (0.80) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL879571 0.84 KDM4E (0.70) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL29433018 0.84 RAB9A (0.67) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL29432907 0.84 PIK3CA (0.67) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL29432904 0.84 RAB9A (0.67) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL651159 0.82 KDR (0.74) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL29432894 0.81 RAB9A (0.64) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL8568774 0.81 KDM4E (0.67) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL14461305 0.81 HDAC1 (0.72) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL3994400 0.81 NPSR1 (0.71) RAB9ANPC1SMN1; SMN2POLBMAPT

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-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed