SCHEMBL6567544

SCHEMBL6567544

COc1ccc(NC(=O)NC(C)(C)CC(C)(C)C)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.56
HTT P42858 4/20 0.54
KMT2A Q03164 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
MEN1 O00255 5/20 0.53
MAPT P10636 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 2/20 0.53
ATM Q13315 1/20 0.53
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 6/20 0.52
GLA P06280 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL6566909 0.86 KMT2A (0.51) POLBHTTKMT2ASMN1; SMN2MEN1
SCHEMBL6567640 0.85 HTT (0.65) POLBHTTKMT2ASMN1; SMN2MEN1
SCHEMBL4358325 0.83 POLB (0.60) POLBHTTKMT2ASMN1; SMN2MEN1
SCHEMBL4341979 0.78 POLB (0.54) POLBHTTKMT2ASMN1; SMN2MEN1
SCHEMBL11754054 0.78 SMN1; SMN2 (0.63) POLBHTTKMT2ASMN1; SMN2MEN1
SCHEMBL11685462 0.78 SMN1; SMN2 (0.63) POLBHTTKMT2ASMN1; SMN2MEN1
SCHEMBL2008813 0.76 ALDH1A1 (0.70) POLBHTTKMT2ASMN1; SMN2MEN1
SCHEMBL31054226 0.75 SMN1; SMN2 (0.71) POLBHTTKMT2ASMN1; SMN2MEN1
SCHEMBL11676119 0.75 HTT (0.63) POLBHTTKMT2ASMN1; SMN2MEN1
SCHEMBL1291893 0.74 SMN1; SMN2 (0.70) POLBHTTKMT2ASMN1; SMN2MEN1

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-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed