SCHEMBL11399112

SCHEMBL11399112

COc1ccc(C(=O)Nn2c(=O)[nH]c3ccccc3c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
MAPK10 P53779 2/20 0.50
HPGD P15428 2/20 0.49
PARP14 Q460N5 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
KDR P35968 1/20 0.48
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL11407185 0.77 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2KMT2AMAPTHPGD
SCHEMBL4516870 0.76 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL27585716 0.76 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2KMT2AHPGDHSD17B10
SCHEMBL3407740 0.73 NPC1 (0.49) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL6973438 0.72 HSD17B10 (0.66) SMN1; SMN2KMT2ANPC1MAPTLMNA
SCHEMBL13713080 0.71 ADORA3 (0.61) L3MBTL1SMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL9728959 0.71 RAB9A (0.72) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL22686985 0.71 LMNA (0.76) SMN1; SMN2KMT2AMAPTLMNAMEN1
SCHEMBL7593290 0.69 MEN1 (0.77) L3MBTL1SMN1; SMN2KMT2ANPSR1MAPT
SCHEMBL6257175 0.69 KMT2A (0.69) SMN1; SMN2KMT2ANPSR1NPC1RAB9A

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-4268511-A DIURETICS, MUSCLE RELAXANTS BERRI-BALZAC (FR) 1981-05-19 US disclosed