SCHEMBL28115690

SCHEMBL28115690

CC(C)c1ccc(-c2cc(F)ccc2F)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TGFBR1 P36897 4/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
IDH1 O75874 1/20 0.37
KDM1A O60341 2/20 0.36
DHODH Q02127 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL28115668 0.86 TGFBR1 (0.51) TGFBR1CYP3A4CYP2C8KDM1A
SCHEMBL13728992 0.80 CYP11B1 (0.49) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL27808852 0.78 NPC1 (0.37) TGFBR1KDM1ADHODHTRPV3GABRA1
SCHEMBL13017142 0.77 CYP11B1 (0.41) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL12320871 0.76 NPC1 (0.49) CYP11B1CYP11B2MAPK14
SCHEMBL19237528 0.75 CYP11B1 (0.44) KDM1ATRPV3CYP11B1CYP11B2
SCHEMBL14018473 0.75 KDM1A (0.44) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL13062796 0.74 CYP11B1 (0.44) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL12320870 0.74 HPGDS (0.52) TRPV3CYP11B1
SCHEMBL13602061 0.74 CCR1 (0.46) CYP11B1CYP11B2

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
CN-106132950-A Compounds and methods of use 麦迪韦逊技术股份有限公司 2016-11-16 CN disclosed