SCHEMBL11529474

SCHEMBL11529474

CSc1ccc(Nc2cscc2C#N)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 6/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
LRRK2 Q5S007 1/20 0.35
VCAM1 P19320 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MERTK Q12866 1/20 0.34
GRM6 O15303 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
POLB P06746 2/20 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
SCHEMBL11533717 0.81 VCAM1 (0.57) HTTLMNATRPV1KMT2AMEN1
SCHEMBL11531797 0.77 LMNA (0.39) HTTLMNATRPV1KMT2AMEN1
SCHEMBL11532520 0.74 TRPV1 (0.37) HTTLMNATRPV1KMT2AMEN1
SCHEMBL9433775 0.73 VCAM1 (0.46) HTTTRPV1KMT2AMEN1MAPT
SCHEMBL11629997 0.67 MAPT (0.61) HTTLMNATRPV1KMT2AMEN1
SCHEMBL27864501 0.64 MAPT (0.64) HTTLMNAKMT2AMEN1L3MBTL1
SCHEMBL4836510 0.64 VCAM1 (0.57) HTTLMNAL3MBTL1MAPTALDH1A1
SCHEMBL4841127 0.64 MAPK1 (0.44) HTTLMNAKMT2AMEN1L3MBTL1
SCHEMBL11039924 0.64 TSHR (0.56) HTTLMNAKMT2AMEN1MAPT
SCHEMBL5556900 0.63 L3MBTL1 (0.62) HTTLMNAL3MBTL1MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed