SCHEMBL4540968

SCHEMBL4540968

O=C(NC1CCCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12.O=C(NC1CCCCC1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 2/20 0.41
C5AR1 P21730 1/20 0.41
MEN1 O00255 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.40
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
EPHX2 P34913 1/20 0.39
IDO1 P14902 2/20 0.38
POLB P06746 1/20 0.38
CNR2 P34972 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL4380878 0.97 LMNA (0.41) MAPTLMNAALDH1A1ALOX12C5AR1
SCHEMBL2994849 0.97 MAPT (0.43) MAPTLMNAALDH1A1ALOX12C5AR1
SCHEMBL2996664 0.97 LMNA (0.43) MAPTLMNAALDH1A1ALOX12C5AR1
SCHEMBL3012007 0.96 ALDH1A1 (0.44) MAPTLMNAALDH1A1ALOX12C5AR1
SCHEMBL3001862 0.95 LMNA (0.43) MAPTLMNAALDH1A1ALOX12C5AR1
SCHEMBL2998758 0.95 ALDH1A1 (0.42) MAPTLMNAALDH1A1ALOX12C5AR1
SCHEMBL3002026 0.93 MAPT (0.40) MAPTLMNAALDH1A1ALOX12C5AR1
SCHEMBL3004288 0.93 LMNA (0.45) MAPTLMNAALDH1A1ALOX12C5AR1
SCHEMBL3001744 0.91 SIGMAR1 (0.40) MAPTLMNAALDH1A1ALOX12C5AR1
SCHEMBL2994678 0.91 ALDH1A1 (0.41) MAPTLMNAALDH1A1ALOX12C5AR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed