SCHEMBL7383196

SCHEMBL7383196

CC(COc1ccccc1Br)NC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
SSTR4 P31391 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GRM4 Q14833 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7383193 1.00 MTNR1A (0.51) MTNR1AMTNR1BKMT2AMEN1SMN1; SMN2
SCHEMBL5370545 0.88 MTNR1A (0.63) MTNR1AMTNR1BKMT2AMEN1SMN1; SMN2
SCHEMBL5370551 0.88 MTNR1A (0.63) MTNR1AMTNR1BKMT2AMEN1SMN1; SMN2
SCHEMBL9030834 0.83 FFAR1 (0.48) SSTR4
SCHEMBL9030828 0.83 FFAR1 (0.48) SSTR4
SCHEMBL6176229 0.82 AAK1 (0.48) MTNR1AMTNR1BKMT2AMEN1SMN1; SMN2
SCHEMBL6176223 0.82 AAK1 (0.48) MTNR1AMTNR1BKMT2AMEN1SMN1; SMN2
SCHEMBL5430975 0.77 KMT2A (0.39) MTNR1AMTNR1BKMT2AMEN1SMN1; SMN2
SCHEMBL5371265 0.76 KMT2A (0.48) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL5371269 0.76 KMT2A (0.48) KMT2AMEN1SMN1; SMN2GAAATM

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-1998011112-A1 TRICYCLIC INDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SYNTHELABO (FR) 1998-03-19 WO disclosed