SCHEMBL7348668

SCHEMBL7348668

CC(C)(c1ccccc1)n1nnc(-c2cc(C=O)ccc2-c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.37
KCNJ1 P48048 1/20 0.34
AGTR1 P30556 1/20 0.33
XDH P47989 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
IP6K1 Q92551 1/20 0.31
GRM5 P41594 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL7352872 0.89 ABCG2 (0.41) POLBSMN1; SMN2ABCG2AGTR1XDH
SCHEMBL8784604 0.88 ABCG2 (0.39) POLBSMN1; SMN2ABCG2KCNJ1AGTR1
SCHEMBL6156586 0.84 POLB (0.47) POLBSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL6155 0.79 POLB (0.39) POLBSMN1; SMN2ABCG2AGTR1XDH
SCHEMBL8783660 0.79 SMN1; SMN2 (0.40) POLBSMN1; SMN2ABCG2AGTR1ALDH1A1
SCHEMBL4617609 0.77 SMN1; SMN2 (0.56) POLBSMN1; SMN2ALDH1A1MEN1NPC1
SCHEMBL4638150 0.77 AGTR1 (0.45) POLBSMN1; SMN2ABCG2KCNJ1AGTR1
SCHEMBL7772778 0.76 ABCG2 (0.44) POLBSMN1; SMN2ABCG2AGTR1ALDH1A1
SCHEMBL7352477 0.76 ABCG2 (0.41) POLBSMN1; SMN2ABCG2KCNJ1AGTR1
SCHEMBL8783257 0.74 TDP1 (0.36) SMN1; SMN2ABCG2MEN1NPC1KMT2A

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 3 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 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-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