SCHEMBL2489022

SCHEMBL2489022

N#Cc1ccccc1-c1ccc(Cn2cc(OC(=O)O)c(=O)c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CHRM1 P11229 4/20 0.47
TP53 P04637 2/20 0.45
F2RL3 Q96RI0 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL2487702 0.87 LMNA (0.67) LMNAMEN1ALDH1A1TSHRKMT2A
SCHEMBL2490511 0.85 LMNA (0.59) LMNACHRM1TP53CNR2
SCHEMBL3237179 0.81 LMNA (0.59) LMNACHRM1TP53CNR2
SCHEMBL3234156 0.81 LMNA (0.62) LMNACHRM1TP53CNR2
SCHEMBL2491002 0.79 CHRM1 (0.71) LMNAALDH1A1SMN1; SMN2CHRM1
SCHEMBL18672281 0.78 ALDH1A1 (0.56) LMNAMEN1ALDH1A1TSHRKMT2A
SCHEMBL3241260 0.77 TP53 (0.68) LMNAALDH1A1SMN1; SMN2CHRM1TP53
SCHEMBL8328934 0.76 CHRM1 (0.47) LMNACHRM1TP53F2RL3
SCHEMBL17943665 0.76 ALDH1A1 (0.60) LMNAMEN1ALDH1A1TSHRKMT2A
SCHEMBL2487409 0.75 LMNA (0.47) LMNACHRM1TP53CNR2

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
EP-2037739-B1 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2011-10-26 EP claimed