SCHEMBL16634615

SCHEMBL16634615

O=C(O)c1ccc(-n2c(=O)[nH]c3ccccc32)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
HSP90AA1 P07900 5/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GABRP O00591 4/20 0.44
GABRD O14764 4/20 0.44
GABRA1 P14867 4/20 0.44
GABRB1 P18505 4/20 0.44
GABRG2 P18507 4/20 0.44
GABRB3 P28472 4/20 0.44
GABRA5 P31644 4/20 0.44
GABRA3 P34903 4/20 0.44
GABRA2 P47869 4/20 0.44
GABRB2 P47870 4/20 0.44
GABRA4 P48169 4/20 0.44
GABRE P78334 4/20 0.44
GABRA6 Q16445 4/20 0.44
GABRG1 Q8N1C3 4/20 0.44

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
SCHEMBL16634676 0.84 TP53 (0.53) HSP90AA1MEN1LMNAKMT2AL3MBTL1
SCHEMBL16634744 0.77 L3MBTL1 (0.55) HSP90AA1MEN1LMNAKMT2AL3MBTL1
SCHEMBL8156714 0.75 GABRP (0.52) HSP90AA1MEN1LMNAKMT2AL3MBTL1
SCHEMBL29367625 0.75 LMNA (0.65) HSP90AA1MEN1LMNAKMT2AL3MBTL1
SCHEMBL699273 0.75 LMNA (0.65) HSP90AA1MEN1LMNAKMT2AL3MBTL1
SCHEMBL30615654 0.75 GABRP (0.52) HSP90AA1MEN1LMNAKMT2AL3MBTL1
SCHEMBL14199033 0.74 GABRP (0.51) HSP90AA1MEN1LMNAKMT2AL3MBTL1
SCHEMBL21463893 0.74 PGR (0.49) HSP90AA1MEN1LMNAKMT2AL3MBTL1
SCHEMBL21463914 0.74 ALDH1A1 (0.49) HSP90AA1MEN1LMNAKMT2AL3MBTL1
SCHEMBL30615608 0.74 ALDH1A1 (0.49) HSP90AA1MEN1LMNAKMT2AL3MBTL1

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-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed