SCHEMBL6426563

SCHEMBL6426563

NOC(=O)c1cnn(Cc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B10 Q99714 1/20 0.48
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
RIPK1 Q13546 1/20 0.47
CREBBP Q92793 2/20 0.46
SCD5 Q86SK9 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SCD O00767 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3765456 0.85 KLKB1 (0.53) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL15964732 0.83 KLKB1 (0.60) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL13692389 0.83 L3MBTL1 (0.54) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL553848 0.83 ALDH1A1 (0.60) KLKB1L3MBTL1TDP1CREBBPALDH1A1
SCHEMBL553830 0.83 L3MBTL1 (0.62) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL950077 0.81 L3MBTL1 (0.56) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL30736715 0.79 RIPK1 (0.47) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL20250854 0.78 CREBBP (0.54) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL15143107 0.78 L3MBTL1 (0.55) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL15309597 0.78 L3MBTL1 (0.51) KLKB1L3MBTL1POLBTDP1HSD17B10

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
EP-1592693-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS Ferring B.V. (NL) 2005-11-09 EP disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed