SCHEMBL6209524

SCHEMBL6209524

Nc1cc(C#Cc2cc[c]cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 8/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
VCAM1 P19320 1/20 0.37

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 0.84 TDP1 (0.53) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL18789074 0.79 TDP1 (0.59) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL6209515 0.79 TDP1 (0.44) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL31715931 0.78 VCAM1 (0.59) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL1068675 0.78 VCAM1 (0.59) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL29217568 0.76 TDP1 (0.60) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL1068908 0.75 TDP1 (0.50) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL1063282 0.75 TDP1 (0.50) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL8293278 0.75 TDP1 (0.50) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL5766321 0.72 TSHR (0.46) TDP1TSHRMAPTLMNAALDH1A1

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