SCHEMBL4389998

SCHEMBL4389998

FC(F)(F)CCCOc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.51
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
KCNH2 Q12809 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
CYP2D6 P10635 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL10202961 0.81 L3MBTL1 (0.56) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL9808263 0.80 L3MBTL1 (0.68) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL5660214 0.78 L3MBTL1 (0.59) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL10458296 0.76 L3MBTL1 (0.55) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL7330452 0.76 L3MBTL1 (0.55) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL15189515 0.76 L3MBTL1 (0.57) L3MBTL1MAPTTDP1HSP90AA1HSP90AB1
SCHEMBL16302574 0.76 HSP90AA1 (0.41) L3MBTL1MAPTHSP90AA1HSP90AB1CYP1A2
SCHEMBL10202948 0.76 L3MBTL1 (0.54) L3MBTL1MAPTTDP1CYP1A2CYP2C19
SCHEMBL28043247 0.75 HTR1B (0.62) TDP1KMT2A
SCHEMBL1249120 0.75 HTR1B (0.56) L3MBTL1MAPTTDP1CYP1A2CYP2C19

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-2012058132-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed