SCHEMBL13522992

SCHEMBL13522992

Oc1ccc(Cl)cc1-c1nc2ncccc2o1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 4/20 0.61
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 5/20 0.56
KDM4E B2RXH2 4/20 0.56
GAA P10253 2/20 0.56
HPGD P15428 3/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ADRB2 P07550 1/20 0.47
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM6B O15054 1/20 0.46
KDM6A O15550 1/20 0.46

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
SCHEMBL13522999 0.83 MAPT (0.64) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL13522986 0.81 NPC1 (0.69) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL13522994 0.80 NPC1 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL9868781 0.79 MAPT (0.61) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL13522796 0.78 KDM6B (0.73) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL13522988 0.78 SGMS2 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL9868181 0.76 NPC1 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL9867464 0.75 KDM4E (0.68) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6759895 0.74 MAPT (0.45) SMN1; SMN2MAPTHPGDMEN1KMT2A
SCHEMBL6762328 0.73 MAOA (0.48) NPC1RAB9AALDH1A1MAPTKDM4E

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