SCHEMBL9559013

SCHEMBL9559013

CCC(C(=O)O)C(NC(=O)C1CCCCC1C(=O)Nc1ccc(C=NN)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR1E P28566 1/20 0.37
S1PR3 Q99500 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37

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
SCHEMBL9559016 0.98 GAA (0.42) GAAMAPTRAB9ALMNAHTT
SCHEMBL9558530 0.96 MAPT (0.38) GAAMAPTRAB9ALMNAHTT
SCHEMBL9559156 0.93 MAPT (0.37) GAAMAPTRAB9ALMNASMN1; SMN2
SCHEMBL9559006 0.82 KCNQ3 (0.44) GAAMAPTRAB9ALMNAHTT
SCHEMBL7353190 0.81 POLB (0.42) GAAMAPTRAB9AHTTSMN1; SMN2
SCHEMBL9559001 0.81 LMNA (0.42) GAAMAPTRAB9ALMNAHTT
SCHEMBL9559008 0.80 KCNQ3 (0.42) GAAMAPTRAB9ALMNAHTT
SCHEMBL9559004 0.79 LMNA (0.42) GAAMAPTRAB9ALMNAKDM4E
SCHEMBL9558990 0.77 ITGB3 (0.43) GAAMAPTRAB9ALMNASMN1; SMN2
SCHEMBL7361744 0.77 RAB9A (0.62) GAAMAPTRAB9ALMNAHTT

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-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed