SCHEMBL13505201

SCHEMBL13505201

COc1cccc(CC(NC(=O)NCc2ccc(N)cc2)C(N)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.54
▸ ATM Q13315 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ PPID Q08752 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ KLKB1 P03952 1/20 0.46

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
SCHEMBL13505431 0.82 ANPEP (0.63) ANPEPALDH1A1ATML3MBTL1PPID
SCHEMBL12643843 0.81 ATM (0.64) ANPEPALDH1A1ATML3MBTL1POLB
SCHEMBL20241469 0.80 TAAR1 (0.54) ANPEPALDH1A1SMN1; SMN2POLBHTT
SCHEMBL13505312 0.80 ALDH1A1 (0.43) ANPEPALDH1A1ATML3MBTL1PPID
SCHEMBL13505315 0.79 PPARG (0.53) ANPEPALDH1A1ATMSMN1; SMN2L3MBTL1
SCHEMBL12643839 0.79 ATM (0.65) ANPEPALDH1A1ATML3MBTL1POLB
SCHEMBL12643953 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBPPIDKDM4E
SCHEMBL2034518 0.77 PPID (0.58) ANPEPALDH1A1ATML3MBTL1POLB
SCHEMBL29687069 0.76 FPR2 (0.62) ALDH1A1SMN1; SMN2POLBUSP2
SCHEMBL15832185 0.76 PPID (0.65) ANPEPALDH1A1ATMSMN1; SMN2L3MBTL1

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-2516387-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-10-31 — — EP disclosed
Send feedback