SCHEMBL540852

SCHEMBL540852

Cc1nc2ccccc2n1CCCCCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
HTT P42858 3/20 0.59
TP53 P04637 1/20 0.59
FABP4 P15090 1/20 0.56
FABP5 Q01469 1/20 0.56
APAF1 O14727 1/20 0.56
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 2/20 0.54
FAAH O00519 2/20 0.53
P2RX7 Q99572 1/20 0.53
TNF P01375 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 1/20 0.52
TBXAS1 P24557 1/20 0.52
HDAC6 Q9UBN7 1/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL22965215 0.99 LMNA (0.60) LMNAHTTTP53FABP4FABP5
SCHEMBL28516010 0.94 LMNA (0.62) LMNAHTTTP53FABP4FABP5
SCHEMBL22965263 0.88 LMNA (0.65) LMNAHTTTP53FABP4FABP5
SCHEMBL2330274 0.87 LMNA (0.69) LMNAHTTTP53ALDH1A1P2RX7
SCHEMBL540948 0.85 FAAH (0.57) LMNAHTTTP53APAF1ALDH1A1
SCHEMBL22965212 0.83 PTGDR2 (0.59) LMNAHTTTP53APAF1ALDH1A1
SCHEMBL5813721 0.82 FABP4 (0.55) LMNAHTTTP53FABP4FABP5
SCHEMBL14502383 0.81 FAAH (0.78) FAAH
SCHEMBL5370606 0.81 FAAH (0.78) FAAH
SCHEMBL28890678 0.81 KDM4E (0.56) LMNAHTTTP53FABP4FABP5

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-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP claimed