SCHEMBL2410550

SCHEMBL2410550

Cc1noc(C)c1C(=O)NCCc1ccc(C(=O)NO)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
TSHR P16473 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.52
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 1/20 0.47

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
SCHEMBL2407875 0.73 ALDH1A1 (0.52) KMT2ATSHRSMN1; SMN2HDAC8HDAC6
SCHEMBL6360331 0.73 TSHR (0.59) KMT2ATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL2408392 0.72 HDAC1 (0.58) KMT2ATSHRSMN1; SMN2HDAC2HDAC8
SCHEMBL2413988 0.72 HDAC1 (0.56) KMT2ASMN1; SMN2NPC1RAB9AHDAC2
SCHEMBL2408859 0.72 HDAC1 (0.56) KMT2ASMN1; SMN2NPC1RAB9AHDAC2
SCHEMBL8854765 0.71 GAA (0.70) KMT2ATSHRSMN1; SMN2GAAMAPT
SCHEMBL2408884 0.71 ALDH1A1 (0.46) TSHRNPC1RAB9AHDAC2HDAC8
SCHEMBL29411444 0.71 TSHR (0.72) KMT2ATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL21045493 0.71 TSHR (0.72) KMT2ATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL6570625 0.70 RAB9A (0.70) KMT2ASMN1; SMN2NPC1RAB9AHDAC2

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-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed