SCHEMBL3720546

SCHEMBL3720546

CCOc1c(Cl)cc(Br)cc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PGK1 P00558 1/20 0.38
NPC1 O15118 1/20 0.36
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
IGF1R P08069 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL3717505 0.88 KMT2A (0.40) HTTALDH1A1PGK1SMN1; SMN2MEN1
SCHEMBL3725378 0.84 ALDH1A1 (0.35) ALDH1A1PGK1MEN1KMT2ATHRB
SCHEMBL3720704 0.84 PTGS1 (0.37) ALDH1A1PGK1POLBMEN1KMT2A
SCHEMBL3716943 0.82 ALDH1A1 (0.34) ALDH1A1PGK1ALOX15HPGDPPARG
SCHEMBL3720677 0.80 PTGS1 (0.34) THRB
SCHEMBL3986078 0.79 LMNA (0.43) HTTLMNAALDH1A1NPC1POLB
SCHEMBL3719376 0.78 KCNK3 (0.33) PGK1PPARG
SCHEMBL26231908 0.75 WDR5 (0.35) PGK1
SCHEMBL21823599 0.73 ALDH1A1 (0.55) HTTLMNAALDH1A1POLBMEN1
SCHEMBL3720178 0.72 HPGD (0.46) HTTLMNAALDH1A1NPC1SMN1; SMN2

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed