SCHEMBL13870645

SCHEMBL13870645

O=C1C2C3C=CC(O3)[C@H]2C(=O)N1c1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.69
ALDH1A1 P00352 6/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
HSD17B10 Q99714 1/20 0.57
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
POLB P06746 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 2/20 0.41
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3180354 1.00 ATM (0.69) ATMALDH1A1MAPTHPGDHTT
SCHEMBL3180344 1.00 ATM (0.69) ATMALDH1A1MAPTHPGDHTT
SCHEMBL13480903 1.00 ATM (0.69) ATMALDH1A1MAPTHPGDHTT
SCHEMBL14345183 0.91 ATM (0.81) ATMALDH1A1MAPTHPGDHTT
SCHEMBL5891287 0.82 ATM (0.69) ATMALDH1A1MAPTHPGDHTT
SCHEMBL1104580 0.82 ATM (0.69) ATMALDH1A1MAPTHPGDHTT
SCHEMBL1104574 0.81 ATM (1.00) ATMALDH1A1MAPTHPGDHTT
SCHEMBL17616369 0.81 ATM (0.67) ATMALDH1A1MAPTHPGDHTT
SCHEMBL13936105 0.81 ATM (0.67) ATMALDH1A1MAPTHPGDHTT
SCHEMBL23823153 0.78 ATM (0.63) ATMALDH1A1MAPTHPGDHTT

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-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed