SCHEMBL7687310

SCHEMBL7687310

COc1cc(OC)c(NC(=S)Nc2ncccc2N)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 11/20 0.55
MAPT P10636 9/20 0.55
HPGD P15428 3/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALOX12 P18054 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
CYP2D6 P10635 1/20 0.52
GAA P10253 3/20 0.49
KDM4E B2RXH2 4/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL7687308 0.84 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A
SCHEMBL7946630 0.82 MAPT (0.58) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A
SCHEMBL7657979 0.81 MEN1 (0.70) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A
SCHEMBL6814960 0.79 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A
SCHEMBL6814781 0.76 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A
SCHEMBL6811000 0.76 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A
SCHEMBL6816565 0.76 MAPT (0.60) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A
SCHEMBL7661245 0.76 MEN1 (0.57) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A
SCHEMBL6811910 0.76 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A
SCHEMBL6816004 0.76 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A

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
US-6410571-B1 VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2002-06-25 US disclosed