SCHEMBL26035008

SCHEMBL26035008

Cc1occc1C(=O)Nc1nc2cc(Cl)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
FFAR2 O15552 1/20 0.53
ANO1 Q5XXA6 1/20 0.53
KCNH2 Q12809 2/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
FBP1 P09467 5/20 0.50
PKM P14618 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
PTGES O14684 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 1/20 0.46
ESR2 Q92731 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL3777315 0.79 KCNH2 (0.63) POLBFFAR2ANO1KCNH2MEN1
SCHEMBL8125417 0.76 SCD (0.64) FFAR2ANO1KCNH2MEN1GAA
SCHEMBL3616689 0.75 KCNH2 (0.53) POLBFFAR2ANO1KCNH2MEN1
SCHEMBL14047971 0.75 FFAR2 (0.60) POLBFFAR2ANO1KCNH2MEN1
SCHEMBL7130372 0.75 PPARG (0.63) MEN1KMT2AFBP1PKMSMN1; SMN2
SCHEMBL11434478 0.74 HDAC1 (0.60) FFAR2ANO1KCNH2MEN1GAA
SCHEMBL5091405 0.74 TP53 (0.64) POLBFFAR2ANO1KCNH2MEN1
SCHEMBL3607740 0.74 MAPT (0.52) POLBFFAR2KCNH2MEN1GAA
SCHEMBL4858645 0.73 ANO1 (0.63) POLBFFAR2ANO1KCNH2MEN1
SCHEMBL13471604 0.73 FFAR2 (0.52) POLBFFAR2ANO1KCNH2MEN1

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-2023159248-A1 RE-SENSITIZING MULTIDRUG-RESISTANT (MDR) GRAM-NEGATIVE BACTERIA TO COLISTIN USING IONOPHORES THE REGENTS OF THE UNIVERSITY OF COLORADO A BODY CORPORATE (US) 2023-08-24 WO disclosed