SCHEMBL11615046

SCHEMBL11615046

O=C(NCc1ccncc1)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.76
NAMPT P43490 16/20 0.75
ROCK2 O75116 1/20 0.69
ROCK1 Q13464 1/20 0.69
LMNA P02545 1/20 0.67
CYP3A4 P08684 1/20 0.67
MMP13 P45452 1/20 0.67
MAPK14 Q16539 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
KDR P35968 1/20 0.60

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
SCHEMBL13603748 0.92 HTT (0.76) HTTNAMPTROCK2ROCK1LMNA
SCHEMBL16990619 0.87 HTT (0.64) HTTNAMPTROCK2ROCK1
SCHEMBL11616834 0.87 HTT (1.00) HTTNAMPTROCK2ROCK1SMN1; SMN2
SCHEMBL28111895 0.86 NAMPT (1.00) HTTNAMPTLMNASMN1; SMN2
SCHEMBL13603754 0.85 NAMPT (0.80) HTTNAMPTLMNASMN1; SMN2
SCHEMBL13603751 0.85 NAMPT (0.65) HTTNAMPTROCK2ROCK1LMNA
SCHEMBL15574780 0.84 KMT2A (0.60) HTTNAMPTROCK2ROCK1
SCHEMBL15574772 0.84 NAMPT (0.78) HTTNAMPTCYP3A4MAPK14
SCHEMBL15573250 0.84 NAMPT (0.67) HTTNAMPTCYP3A4MAPK14
SCHEMBL15573354 0.84 SMN1; SMN2 (0.70) HTTNAMPTCYP3A4MMP13MAPK14

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
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 US disclosed