SCHEMBL7346277

SCHEMBL7346277

COC(=O)c1ccc(-c2ccccc2-c2nnn(C(C)(C)c3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EGFR P00533 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ALDH1A2 O94788 1/20 0.43
ALDH1A3 P47895 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
HPGD P15428 1/20 0.40
PTGS2 P35354 1/20 0.40
PTPN1 P18031 2/20 0.39
PTPRC P08575 1/20 0.39
PTPRF P10586 1/20 0.39
CDC25B P30305 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SGK1 O00141 1/20 0.39

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
SCHEMBL7355508 0.90 PTGS2 (0.49) MEN1KMT2AEGFRALDH1A1ALDH1A2
SCHEMBL7772778 0.82 ABCG2 (0.44) ALDH1A1SMN1; SMN2POLBTSHRHPGD
SCHEMBL7344898 0.81 ABCG2 (0.42) SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL21084029 0.81 EGFR (0.54) MEN1KMT2AEGFRALDH1A1ALDH1A2
SCHEMBL30849984 0.81 EGFR (0.54) MEN1KMT2AEGFRALDH1A1ALDH1A2
SCHEMBL7344950 0.81 ABCG2 (0.39) SMN1; SMN2POLBTSHRMAPK1L3MBTL1
SCHEMBL7352872 0.80 ABCG2 (0.41) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL7346670 0.78 AGTR1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL7346198 0.75 NPSR1 (0.50) ALDH1A1SMN1; SMN2POLBTSHRHPGD
SCHEMBL14573917 0.75 AGTR1 (0.36) SMN1; SMN2POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760815-A1 PROCESSES FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1997-03-12 EP claimed
WO-1995032962-A1 PROCESSES FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1995-12-07 WO claimed
US-5412102-A Processes for preparing 1-butyl-2-[2'-(2H-tetrazol-5-yl) biphenyl-4-ylmethyl]-1H-indole-3-carboxylic acid SYNTEX (U.S.A.) INC. (US) 1995-05-02 US claimed
EP-0760815-A1 PROCESSES FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1997-03-12 EP disclosed
WO-1995032962-A1 PROCESSES FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1995-12-07 WO disclosed
US-5446121-A Processes for preparing 1-butyl-2-[2'-(2H-tetrazol-5-yl) biphenyl-4-ylmethyl]-1H-indole-3-carboxylic acid SYNTEX (U.S.A.) INC. (US) 1995-08-29 US disclosed
US-5412102-A Processes for preparing 1-butyl-2-[2'-(2H-tetrazol-5-yl) biphenyl-4-ylmethyl]-1H-indole-3-carboxylic acid SYNTEX (U.S.A.) INC. (US) 1995-05-02 US disclosed