SCHEMBL6697396

SCHEMBL6697396

COC(=O)C(OCCCBr)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
GLS O94925 8/20 0.45
HDAC7 Q8WUI4 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 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
SCHEMBL29291224 0.85 NPC1 (0.54) KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9798388 0.85 MAPT (0.51) KMT2AHDAC7ALDH1A1GAAL3MBTL1
SCHEMBL16673029 0.84 KMT2A (0.53) KMT2AGLSALDH1A1GAAMEN1
SCHEMBL27765337 0.84 GLS (0.53) KMT2AGLSALDH1A1GAAMEN1
SCHEMBL2250484 0.81 KMT2A (0.46) KMT2AGLSMEN1LMNAHPGD
SCHEMBL16672466 0.80 KMT2A (0.56) KMT2AALDH1A1GAAMEN1SMN1; SMN2
SCHEMBL27273849 0.79 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1GAAMEN1
SCHEMBL28065294 0.79 KMT2A (0.55) KMT2AALDH1A1GAAMEN1SMN1; SMN2
SCHEMBL27634779 0.79 KMT2A (0.55) KMT2AGLSALDH1A1GAAL3MBTL1
SCHEMBL9675264 0.79 KMT2A (0.55) KMT2AALDH1A1L3MBTL1MEN1CYP1A2

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-2004096811-A1 PDE9 INHIBITORS FOR TREATING TYPE 2 DIABETES, METABOKIC SYNDROME, AND CARDIOVASCULAR DISEASE PFIZER PRODUCTS INC. (US) 2004-11-11 WO disclosed