SCHEMBL9709591

SCHEMBL9709591

Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CCCN(Cc3ccc(CBr)cc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
POLB P06746 1/20 0.62
PKM P14618 1/20 0.62
HTT P42858 1/20 0.62
CD4 P01730 2/20 0.61
SORT1 Q99523 1/20 0.61
KDM4E B2RXH2 1/20 0.58
STAT3 P40763 1/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 1/20 0.54

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
SCHEMBL5680202 0.94 ALDH1A1 (0.71) ALDH1A1POLBPKMHTTCD4
SCHEMBL12310087 0.84 KDM4E (0.67) ALDH1A1PKMHTTKDM4ESTAT3
SCHEMBL13925192 0.84 CD4 (0.81) ALDH1A1POLBPKMHTTCD4
SCHEMBL5676987 0.84 SMN1; SMN2 (0.66) ALDH1A1POLBPKMHTTCD4
SCHEMBL22217089 0.82 USP2 (0.62) ALDH1A1POLBPKMHTTKDM4E
SCHEMBL3893229 0.81 CD4 (0.60) ALDH1A1POLBPKMHTTCD4
SCHEMBL3972669 0.81 CD4 (0.69) ALDH1A1CD4SORT1TP53SMN1; SMN2
SCHEMBL19991949 0.81 LMNA (0.73) ALDH1A1CD4SORT1TP53SMN1; SMN2
SCHEMBL8036144 0.81 LMNA (0.73) ALDH1A1CD4SORT1TP53SMN1; SMN2
SCHEMBL3974277 0.81 LMNA (0.73) ALDH1A1CD4SORT1TP53SMN1; SMN2

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-1992016494-A1 LONG CHAIN ANTIVIRAL COMPOUNDS JOHNSON MATTHEY PLC (GB) 1992-10-01 WO disclosed