SCHEMBL7203763

SCHEMBL7203763

Cc1cccc(C(=O)O)c1COc1cc(C)c2nc(C)n(Cc3ccc(C#N)cc3Cl)c2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 5/20 0.41
DCTPP1 Q9H773 1/20 0.38
PIK3CB P42338 2/20 0.37
ALDH1A1 P00352 1/20 0.36
BCL2 P10415 4/20 0.36
MCL1 Q07820 4/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
GLP1R P43220 1/20 0.35
ALOX5AP P20292 1/20 0.34

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
SCHEMBL7195498 0.91 GLP1R (0.41) PIK3C2BGLP1RALOX5AP
SCHEMBL6500839 0.90 BCL2 (0.45) PIK3C2BDCTPP1ALDH1A1BCL2MCL1
SCHEMBL7196487 0.88 PIK3C2B (0.42) PIK3C2BDCTPP1PIK3CBBCL2MCL1
SCHEMBL7193408 0.87 PIK3C2B (0.42) PIK3C2BDCTPP1PIK3CBBCL2MCL1
SCHEMBL7174294 0.86 PIK3C2B (0.41) PIK3C2BPIK3CBBCL2MCL1
SCHEMBL6501511 0.84 BCL2 (0.38) PIK3C2BDCTPP1ALDH1A1BCL2MCL1
SCHEMBL7195514 0.82 PIK3C2B (0.40) PIK3C2BPIK3CBBCL2MCL1
SCHEMBL6500619 0.82 PIK3C2B (0.42) PIK3C2BPIK3CBBCL2MCL1ALOX5AP
SCHEMBL6489142 0.81 GLP1R (0.42) BCL2MCL1GLP1RALOX5AP
SCHEMBL6500552 0.79 MRGPRX4 (0.49) PIK3C2BBCL2MCL1MRGPRX4ALOX5AP

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-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed