SCHEMBL28059598

SCHEMBL28059598

Cc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCAF1 Q9Y4B6 2/20 0.58
HSP90AA1 P07900 4/20 0.53
HSP90AB1 P08238 4/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
CYP3A4 P08684 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
HTT P42858 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM5B Q9UGL1 1/20 0.51
RXFP1 Q9HBX9 2/20 0.51
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 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
SCHEMBL27696872 0.90 HSP90AA1 (0.62) DCAF1HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL28059476 0.81 LMNA (0.51) DCAF1NPC1RAB9ACYP3A4MAPT
SCHEMBL1672584 0.74 TDP1 (0.63) DCAF1KDM5BTDP1
SCHEMBL7058035 0.74 RAB9A (0.79) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL20156052 0.74 TSHR (0.54) DCAF1NPC1RAB9ACYP3A4SMN1; SMN2
SCHEMBL2273998 0.73 ACLY (0.55) DCAF1HSP90AA1HSP90AB1KDM5BTDP1
SCHEMBL3684485 0.73 HPGD (0.79) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL29519361 0.73 HPGD (0.79) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL10489953 0.71 ALDH1A1 (0.76) NPC1RAB9ACYP3A4SMN1; SMN2MAPT
SCHEMBL20767374 0.71 DCAF1 (0.49) DCAF1HSP90AA1HSP90AB1KDM5BTDP1

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
CN-105418505-B Pyrazol acid amide compounds and its preparation method and purposes 浙江树人大学 2018-02-02 CN disclosed
CN-105418505-A Pyrazole amides compound, preparation method therefor and application thereof UNIV ZHEJIANG SHUREN 2016-03-23 CN disclosed