SCHEMBL8784604

SCHEMBL8784604

O=Cc1ccc(-c2ccccc2)c(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.39
AGTR1 P30556 1/20 0.39
KCNJ1 P48048 1/20 0.38
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
IP6K1 Q92551 1/20 0.32
HPGD P15428 1/20 0.32
GRM5 P41594 2/20 0.32
MAPT P10636 1/20 0.32
XDH P47989 1/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL4638150 0.89 AGTR1 (0.45) ABCG2AGTR1KCNJ1POLBSMN1; SMN2
SCHEMBL7348668 0.88 POLB (0.40) ABCG2AGTR1KCNJ1POLBSMN1; SMN2
SCHEMBL30743612 0.82 ABCG2 (0.55) ABCG2AGTR1POLBSMN1; SMN2ALDH1A1
SCHEMBL2161550 0.81 ABCG2 (0.41) ABCG2AGTR1POLBSMN1; SMN2ALDH1A1
SCHEMBL9033772 0.78 AGTR1 (0.41) ABCG2AGTR1POLBSMN1; SMN2ALDH1A1
SCHEMBL7749400 0.78 AGTR1 (0.42) ABCG2AGTR1POLBSMN1; SMN2ALDH1A1
SCHEMBL7352872 0.77 ABCG2 (0.41) ABCG2AGTR1POLBSMN1; SMN2ALDH1A1
SCHEMBL4638378 0.76 SMN1; SMN2 (0.51) POLBSMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL27315990 0.76 AGTR1 (0.43) ABCG2AGTR1POLBSMN1; SMN2NPC1
SCHEMBL15391225 0.74 AGTR1 (0.47) ABCG2AGTR1POLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1070491-C Process for the preparation of 1-butyl-2- [ 2' - (2H-tetrazol-5-yl) -biphenyl-4-ylmethyl ] -1H-indole-3-carboxylic acid SYNTEX INC (US) 2001-09-05 CN disclosed
CN-1070193-C Process for preparing 1-butyl-2-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1H-indole-3-carboxylic acid SYNTEX INC (US) 2001-08-29 CN disclosed
CN-1149294-A Process for the preparation of 1-butyl-2- [2- (2H-tetrazol-5-yl) -biphenyl-4-ylmethyl) -1H-indole-3-carboxylic acid SYNTEX INC (US) 1997-05-07 CN disclosed
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