SCHEMBL11264265

SCHEMBL11264265

CCOC(=O)C(Br)c1cc2ccccc2cc1C(Br)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
PIN1 Q13526 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL9130531 0.92 KMT2A (0.42) GAAMEN1KMT2AALDH1A1NPC1
SCHEMBL20514279 0.82 ALDH1A1 (0.50) KMT2AALDH1A1KDM4EHPGDCYP1A2
SCHEMBL6656374 0.82 ALDH1A1 (0.50) KMT2AALDH1A1KDM4EHPGDCYP1A2
SCHEMBL5860496 0.82 CYP2D6 (0.50) GAAGLAPPARGPPARA
SCHEMBL9127785 0.81 TDP1 (0.45) GAAMEN1KMT2AALDH1A1NPC1
SCHEMBL5327049 0.78 CASP1 (0.56) GAAMEN1KMT2AALDH1A1NPC1
SCHEMBL6788195 0.78 POLB (0.48) GAAMEN1KMT2ANPC1KDM4E
SCHEMBL10650360 0.78 PIN1 (0.42) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL9127430 0.78 L3MBTL1 (0.49) GAAMEN1KMT2AALDH1A1NPC1
SCHEMBL11273360 0.77 PIN1 (0.41) MEN1KMT2ANPC1SMN1; SMN2LMNA

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
US-4351842-A N-Cyclopropylisoindolines GLAXO LABORATORIES LIMITED (GB) 1982-09-28 US disclosed