SCHEMBL8783252

SCHEMBL8783252

Cc1ccccc1C(C)n1nnc(-c2cc(C=O)ccc2-c2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
KCNJ1 P48048 1/20 0.32
KCNJ6 P48051 1/20 0.31
KCNJ3 P48549 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 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
SCHEMBL8783160 0.89 ABCG2 (0.36) ABCG2TSHRNPC1RAB9AALDH1A1
SCHEMBL8788007 0.81 TSHR (0.36) ABCG2TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL8783257 0.79 TDP1 (0.36) ABCG2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8783262 0.73 MEN1 (0.38) ABCG2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7348668 0.73 POLB (0.40) ABCG2NPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL8783143 0.72 ABCG2 (0.35) ABCG2NPC1RAB9ANPSR1
SCHEMBL8783359 0.71 NPSR1 (0.47) TSHRALOX15MEN1KMT2ANPSR1
SCHEMBL8784604 0.70 ABCG2 (0.39) ABCG2NPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL8783164 0.69 TDP1 (0.39) ABCG2MEN1KMT2A
SCHEMBL30866160 0.68 ALDH1A1 (0.44) NPC1RAB9AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760814-A1 A PROCESS 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-1995032961-A1 A PROCESS 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
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