SCHEMBL6209515

SCHEMBL6209515

Nc1cc(C#Cc2[c]cccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPT P10636 7/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PDE7A Q13946 3/20 0.35
RECQL P46063 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1065521 0.81 TDP1 (0.53) TDP1TSHRMAPK1CASP3SENP8
SCHEMBL6209524 0.79 TDP1 (0.50) TDP1TSHRMAPK1CASP3SENP8
SCHEMBL18789074 0.73 TDP1 (0.59) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL29217568 0.71 TDP1 (0.60) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL1068908 0.70 TDP1 (0.50) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL8293278 0.70 TDP1 (0.50) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL1063282 0.70 TDP1 (0.50) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL31715931 0.70 VCAM1 (0.59) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL1068675 0.70 VCAM1 (0.59) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL9356251 0.69 CASP3 (0.54) TDP1TSHRMAPK1CASP3SENP8

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-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 WO disclosed