SCHEMBL6678037

SCHEMBL6678037

O=C1CC=CC=C1C(=O)c1cccc(C2=NOCC2)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30
CREBBP Q92793 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30
FAAH O00519 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL6658548 0.78 FAAH (0.33) BRD4FAAHNAAA
SCHEMBL703308 0.77 KMO (0.50)
SCHEMBL59663 0.71 ALDH1A1 (0.45)
SCHEMBL6662015 0.68 F2 (0.30) F2F10PRSS1FAAHNAAA
SCHEMBL6661545 0.67 PARP1 (0.35)
SCHEMBL9459241 0.66
SCHEMBL700343 0.66 CHRNB4 (0.51)
SCHEMBL27911084 0.64 NISCH (0.39) FAAHNAAA
SCHEMBL11864981 0.61 CCND3 (0.36)
SCHEMBL11062641 0.60 KMT2A (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237881-B1 HERBICIDAL HALOGENALKYL-SUBSTITUTED 3-(4,5-DIHYDROISOXAZOL-3-YL)-BENZOYL-CYCLOHEXENONES BASF AG (DE) 2004-11-03 EP claimed