SCHEMBL8568774

SCHEMBL8568774

COC(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
KDR P35968 4/20 0.64
RAB9A P51151 10/20 0.63
NPC1 O15118 9/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
POLB P06746 2/20 0.63
MAPT P10636 2/20 0.63
HSD17B10 Q99714 3/20 0.62
ALDH1A1 P00352 3/20 0.62
TSHR P16473 2/20 0.62
HPGD P15428 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 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
NOTUM Q6P988 1/20 0.61
TRPV1 Q8NER1 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL28908138 0.86 KDR (0.62) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL240482 0.85 TRPV1 (0.61) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL879571 0.84 KDM4E (0.70) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL4108874 0.84 KDR (0.63) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL27866684 0.83 NPC1 (0.80) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL651159 0.82 KDR (0.74) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL8562464 0.81 RAB9A (0.72) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL14461305 0.81 HDAC1 (0.72) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL3994400 0.81 NPSR1 (0.71) KDM4EKDRRAB9ANPC1SMN1; SMN2
SCHEMBL27617535 0.81 KDR (0.68) KDM4EKDRRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
CN-1169986-A 2.9-diamino-and 2-amino-8-carbamoyl-4-hydroxy-aldanoic acid amide derivatives CIBA GEIGY AG (CH) 1998-01-14 CN 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