SCHEMBL13523005

SCHEMBL13523005

Nc1ccc(Cl)cc1-c1nc2cccnc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.52
NPC1 O15118 9/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
ATM Q13315 2/20 0.43
KDM4E B2RXH2 9/20 0.42
ALDH1A1 P00352 6/20 0.42
GAA P10253 3/20 0.42
RUNX1 Q01196 3/20 0.42
CBFB Q13951 3/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX12 P18054 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PDK1 Q15118 1/20 0.42

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
SCHEMBL13522997 0.83 GAA (0.50) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL983700 0.81 MAPT (0.61) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL13523006 0.80 ILK (0.42) RAB9ANPC1SMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL2906176 0.80 MAPT (0.59) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL3302516 0.78 MAPT (0.67) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL29478087 0.78 MAPT (0.67) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7258252 0.78 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL11896552 0.74 GCK (0.50) SMN1; SMN2ALDH1A1NR4A2TDP1TSHR
SCHEMBL13053004 0.72 PDK1 (0.55) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL13998719 0.72 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MAPTLMNA

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
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed