SCHEMBL7258751

SCHEMBL7258751

C[C@H](OCc1ccccc1)[C@@H](CCOc1ccc(Cl)c(Cl)c1)NC(=O)c1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
PPARG P37231 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARA Q07869 1/20 0.36
PTGER1 P34995 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SCN9A Q15858 1/20 0.35
SLC6A5 Q9Y345 1/20 0.34
P4HB P07237 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNA3 P22001 1/20 0.34

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
SCHEMBL7453006 0.90 NPC1 (0.40) ALDH1A1KDM4EMRGPRX4PPARGMEN1
SCHEMBL7258938 0.85 KDM4E (0.42) ATMALDH1A1KDM4ELMNAMEN1
SCHEMBL7263594 0.85 RAB9A (0.43) ALDH1A1KDM4ELMNAPPARGNPC1
SCHEMBL7258922 0.84 MRGPRX4 (0.42) MRGPRX4PPARGNPC1RAB9APPARA
SCHEMBL7259588 0.84 LMNA (0.44) ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL7264011 0.84 MCHR1 (0.39) ALDH1A1KDM4ELMNAPTGER1NPSR1
SCHEMBL7263297 0.83 KMT2A (0.43) KMT2A
SCHEMBL7448681 0.82 KMT2A (0.40) ATMLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7449714 0.82 MMP9 (0.38) ATMPTGER1
SCHEMBL7448880 0.82 PTGER1 (0.37) ATMLMNAPTGER1

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-2003006437-A1 IMIDAZOLE DERIVATIVES AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-23 WO claimed