SCHEMBL4453257

SCHEMBL4453257

COC(=O)c1ccc(NC(=O)Cn2cnc3cccc(C)c32)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 4/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 5/20 0.51
MAPT P10636 4/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NTRK1 P04629 1/20 0.49
HPGD P15428 2/20 0.48

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
SCHEMBL4457091 0.89 SMN1; SMN2 (0.53) TP53RXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL3038535 0.87 HTT (0.56) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL3045782 0.82 SMN1; SMN2 (0.51) TP53SMN1; SMN2HTTALDH1A1POLB
SCHEMBL4453253 0.81 SMN1; SMN2 (0.58) TP53RXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL3035200 0.80 SMN1; SMN2 (0.65) TP53RXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL3044840 0.78 MEN1 (0.67) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL3037995 0.76 RXFP1 (0.63) TP53RXFP1SMN1; SMN2HTTALDH1A1
SCHEMBL3042961 0.76 LMNA (0.52) TP53RXFP1RAB9ANPC1SMN1; SMN2
SCHEMBL12584403 0.74 RXFP1 (1.00) TP53RXFP1SMN1; SMN2KDM4E
SCHEMBL3043481 0.74 LMNA (0.50) TP53SMN1; SMN2HTTALDH1A1POLB

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-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed