SCHEMBL4815309

SCHEMBL4815309

CC(C)(C)OC(=O)NCC1CCC(N=C=S)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.44
▸ ACACB O00763 9/20 0.44
▸ ACACA Q13085 5/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ APLNR P35414 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ PBK Q96KB5 1/20 0.37

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
SCHEMBL4815317 1.00 KMT2A (0.44) KMT2AACACBACACADRD2CTSS
SCHEMBL14408856 0.87 KMT2A (0.45) KMT2AACACBACACADRD2CTSS
SCHEMBL4812561 0.84 EPHX1 (0.38) KMT2AACACBACACADRD2CTSS
SCHEMBL4377073 0.83 KMT2A (0.56) KMT2AACACBACACADRD2CTSS
SCHEMBL3816616 0.83 KMT2A (0.56) KMT2AACACBACACADRD2CTSS
SCHEMBL3942686 0.83 KMT2A (0.56) KMT2AACACBACACADRD2CTSS
SCHEMBL190838 0.83 KMT2A (0.56) KMT2AACACBACACADRD2CTSS
Bicarbonate SCHEMBL1580718 0.80 KMT2A (0.57) KMT2AACACBACACADRD2CTSS
Formaldehyde SCHEMBL28082239 0.80 KMT2A (0.54) KMT2AACACBACACADRD2CTSS
SCHEMBL7417936 0.79 KMT2A (0.45) KMT2AACACBACACADRD2CTSS

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
WO-2008134228-A1 BENZOXAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 2008-11-06 — — WO disclosed
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