SCHEMBL7469831

SCHEMBL7469831

C[C@@H](COc1ccccc1Br)OC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ GAA P10253 2/20 0.49
▸ ATM Q13315 2/20 0.49
▸ LMNA P02545 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GRM4 Q14833 2/20 0.43
▸ HTR7 P34969 1/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 2/20 0.40

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
SCHEMBL7469838 1.00 KMT2A (0.49) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL9029523 0.84 FFAR1 (0.45) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL9029531 0.84 FFAR1 (0.45) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL28917337 0.83 LMNA (0.40) SMN1; SMN2LMNAKDM4ECYP1A2MAPT
SCHEMBL28917335 0.83 LMNA (0.40) SMN1; SMN2LMNAKDM4ECYP1A2MAPT
SCHEMBL16012976 0.79 LMNA (0.55) SMN1; SMN2LMNACYP1A2ALDH1A1MAPT
SCHEMBL263217 0.76 KMT2A (0.53) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL5362724 0.76 KMT2A (0.53) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL5362727 0.76 KMT2A (0.53) KMT2AMEN1SMN1; SMN2GAAATM
SCHEMBL1496589 0.76 KMT2A (0.60) 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
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