SCHEMBL7795271

SCHEMBL7795271

C/C=C1\CN(C(=O)Nc2ccc(C)c(C)c2)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
NAMPT P43490 6/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
HDAC6 Q9UBN7 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX12 P18054 1/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL7794883 0.84 NAMPT (0.53) NAMPT
SCHEMBL7796320 0.83 NAMPT (0.42) NPC1RAB9ANAMPTNFKB1NFKB2
SCHEMBL7789524 0.80 TAS1R3 (0.38) NPC1RAB9AMAPTNAMPTTAS1R3
SCHEMBL7799029 0.77 NPC1 (0.52) NPC1RAB9AMAPTTP53NAMPT
SCHEMBL7797525 0.74 NAMPT (0.50) MAPTTP53NAMPTHDAC6HDAC3
SCHEMBL7795811 0.74 POLB (0.40) MAPTLMNAHDAC6KDM4EHDAC1
SCHEMBL7796483 0.74 HDAC6 (0.47) MAPTSMN1; SMN2LMNAHDAC6HDAC1
SCHEMBL7787409 0.72 HDAC6 (0.47) L3MBTL1HDAC6HDAC3HDAC1HDAC8
SCHEMBL7796971 0.72 ALDH1A1 (0.43) RAB9AMAPTNAMPTHTTLMNA
SCHEMBL7796324 0.72 HDAC6 (0.63) NAMPTHDAC6HDAC3HDAC4HDAC1

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
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed