SCHEMBL20048890

SCHEMBL20048890

Cc1nc2ncc(C(C)(C)C)nc2s1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
APOBEC3A P31941 1/20 0.30
HSD17B10 Q99714 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL13587142 0.81
SCHEMBL20047529 0.77
SCHEMBL14970054 0.76 HSD17B10 (0.33) USP2ALOX15APOBEC3AHSD17B10APOBEC3G
SCHEMBL1673946 0.73 USP2 (0.32) USP2ALOX15APOBEC3AHSD17B10APOBEC3G
SCHEMBL7990997 0.73 USP2 (0.32) USP2ALOX15APOBEC3AHSD17B10APOBEC3G
SCHEMBL16268335 0.70 USP2 (0.33) USP2ALOX15APOBEC3AHSD17B10APOBEC3G
SCHEMBL6844986 0.70 KDM4E (0.34) USP2ALOX15APOBEC3AHSD17B10APOBEC3G
SCHEMBL13666783 0.68 POLB (0.41) HSD17B10
SCHEMBL17339855 0.67 HSD17B10 (0.35) USP2ALOX15APOBEC3AHSD17B10APOBEC3G
SCHEMBL814058 0.67 HSD17B10 (0.33) USP2ALOX15APOBEC3AHSD17B10APOBEC3G

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-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 WO disclosed