SCHEMBL9979760

SCHEMBL9979760

COc1ccc(C(=O)Nc2c(O)cccc2N=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.56
KLKB1 P03952 1/20 0.52
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
TP53 P04637 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
PKM P14618 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50

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
SCHEMBL5222887 0.85 F10 (0.69) F10KLKB1NPC1RAB9ATP53
SCHEMBL9979791 0.81 HDAC1 (0.63) F10KLKB1NPC1RAB9ATP53
SCHEMBL205172 0.80 PTPN11 (0.62) F10KLKB1NPC1RAB9ATP53
SCHEMBL5221640 0.77 F10 (0.81) F10NPC1RAB9ATP53SMN1; SMN2
SCHEMBL5402070 0.76 SMN1; SMN2 (0.58) F10NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6935548 0.75 ALDH1A1 (0.65) F10NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3275215 0.75 ALDH1A1 (0.44) NPC1RAB9AKMT2AALDH1A1MAOA
SCHEMBL7249253 0.73 F10 (0.69) F10NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3783197 0.72 F10 (0.68) F10KLKB1NPC1RAB9ATP53
SCHEMBL7242479 0.71 TP53 (0.69) F10NPC1RAB9ATP53SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed