SCHEMBL29696299

SCHEMBL29696299

O=C(NO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.45
HDAC1 Q13547 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45
DGAT1 O75907 1/20 0.40
HDAC3 O15379 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDR P35968 1/20 0.38
DEGS1 O15121 1/20 0.36

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
SCHEMBL22925659 1.00 TRPV1 (0.45) TRPV1HDAC1HDAC6DGAT1HDAC3
SCHEMBL22925658 0.89 TRPV1 (0.47) TRPV1HDAC1HDAC6DGAT1KDR
SCHEMBL24637017 0.87 TRPV1 (0.48) TRPV1HDAC1HDAC6DGAT1KDR
SCHEMBL22925662 0.86 TRPV1 (0.45) TRPV1HDAC1HDAC6DGAT1KDR
SCHEMBL22925735 0.83 VCP (0.46) TRPV1HDAC1HDAC6DGAT1KDR
SCHEMBL31013371 0.83 VCP (0.46) TRPV1HDAC1HDAC6DGAT1KDR
SCHEMBL29620913 0.83 TRPV1 (0.40) TRPV1HDAC1HDAC6DGAT1
SCHEMBL22925847 0.83 TRPV1 (0.40) TRPV1HDAC1HDAC6DGAT1
SCHEMBL28733621 0.83 TRPV1 (0.40) TRPV1HDAC1HDAC6DGAT1
SCHEMBL24636933 0.83 TRPV1 (0.39) TRPV1HDAC1HDAC6DGAT1

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
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed