SCHEMBL29620932

SCHEMBL29620932

CNNC(=O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 5/20 0.46
▸ TRPV1 Q8NER1 10/20 0.46
▸ ALOX5 P09917 1/20 0.43
▸ DGAT1 O75907 1/20 0.41
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL22925694 1.00 VCP (0.46) VCPTRPV1ALOX5DGAT1HDAC1
SCHEMBL22925735 0.88 VCP (0.46) VCPTRPV1ALOX5DGAT1HDAC1
SCHEMBL31013371 0.88 VCP (0.46) VCPTRPV1ALOX5DGAT1HDAC1
SCHEMBL22925618 0.88 TRPV1 (0.45) VCPTRPV1ALOX5DGAT1HDAC1
SCHEMBL22925617 0.87 VCP (0.46) VCPTRPV1ALOX5DGAT1HDAC1
SCHEMBL22925576 0.86 TRPV1 (0.47) VCPTRPV1ALOX5DGAT1KDR
SCHEMBL22925600 0.85 TRPV1 (0.45) VCPTRPV1ALOX5KDR
SCHEMBL22925839 0.85 KMT2A (0.52) VCPTRPV1ALOX5DGAT1KDR
SCHEMBL22925670 0.84 HDAC1 (0.47) VCPTRPV1DGAT1HDAC1HDAC6
SCHEMBL29696301 0.84 HDAC1 (0.47) VCPTRPV1DGAT1HDAC1HDAC6

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-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 — — CN disclosed
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