SCHEMBL9205488

SCHEMBL9205488

CCCC(=O)c1ccc2nc(C#N)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.50
HSP90AA1 P07900 1/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
APEX1 P27695 1/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.40
SIRT1 Q96EB6 2/20 0.40
SIRT3 Q9NTG7 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PIN1 Q13526 1/20 0.40
HSD17B3 P37058 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9205475 0.90 PSMB8 (0.40) PSMB8NPSR1HSD17B3ALDH1A1HPGD
SCHEMBL12855143 0.82 PKN1 (0.61) PSMB8HSP90AA1ESR2TDP1PKN1
SCHEMBL11540940 0.80 FABP6 (0.58) HSP90AA1ESR2TDP1APEX1NPSR1
SCHEMBL9198723 0.79 PSMB8 (0.48) PSMB8HSP90AA1ESR2TDP1PKN1
SCHEMBL11477127 0.78 NPSR1 (0.66) HSP90AA1ESR2TDP1APEX1NPSR1
SCHEMBL9209540 0.76 SMN1; SMN2 (0.49) HSP90AA1ESR2TDP1APEX1PKN1
SCHEMBL3790268 0.71 CTNNB1 (0.72) TDP1ALDH1A1POLBHPGDRAB9A
SCHEMBL9198716 0.69 PSMB8 (0.39) PSMB8ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL12647219 0.69 HSP90AA1 (0.69) HSP90AA1ESR2TDP1PKN1PKN2
SCHEMBL11540936 0.69 FABP6 (0.45) NPSR1HSD17B3ALDH1A1HPGDRAB9A

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
EP-0656891-A1 BENZIMIDAZOLE DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1995-06-14 EP disclosed
WO-1994004509-A1 BENZIMIDAZOLE DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1994-03-03 WO disclosed