SCHEMBL13428993

SCHEMBL13428993

Cn1/c(=N\C(=O)c2ccccc2)sc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.76
ALDH1A1 P00352 11/20 0.76
NPC1 O15118 10/20 0.76
SMN1; SMN2 Q16637 10/20 0.76
KDM4E B2RXH2 6/20 0.76
KMT2A Q03164 5/20 0.76
NPSR1 Q6W5P4 3/20 0.76
MEN1 O00255 2/20 0.76
POLB P06746 2/20 0.76
NFKB1 P19838 2/20 0.76
NFKB2 Q00653 2/20 0.76
RELA Q04206 2/20 0.76
MAPT P10636 8/20 0.70
PKM P14618 1/20 0.67
TP53 P04637 2/20 0.64
HTT P42858 1/20 0.64
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C19 P33261 1/20 0.63
LMNA P02545 2/20 0.57

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
SCHEMBL25002865 0.83 RAB9A (0.68) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL14808216 0.78 CNR1 (0.53) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL14808218 0.78 CNR1 (0.53) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL17107250 0.77 RAB9A (0.69) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL17107251 0.77 RAB9A (0.69) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL17132017 0.77 RAB9A (0.69) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL14808055 0.76 KARS1 (0.59) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL14808058 0.76 KARS1 (0.59) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL8635367 0.75 RAB9A (0.60) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL1262942 0.75 MAPT (0.68) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E

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-2010037667-A1 COMPLEX SALTS BASF SE (DE) 2010-04-08 WO disclosed