SCHEMBL6282785

SCHEMBL6282785

NNc1nc2ccccc2c(=O)n1-c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.66
MDM2 Q00987 1/20 0.59
RAB9A P51151 2/20 0.56
MAPT P10636 6/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
PDE7A Q13946 1/20 0.51
POLB P06746 1/20 0.50
G6PD P11413 1/20 0.46
PSD A5PKW4 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
SCHEMBL24110995 0.81 ALOX12 (0.57) ALOX12MDM2RAB9AMAPTPDE7A
SCHEMBL12115517 0.80 ALOX12 (0.71) ALOX12MDM2RAB9AMAPTSMN1; SMN2
SCHEMBL30454788 0.80 ALOX12 (1.00) ALOX12MDM2RAB9AMAPTALDH1A1
SCHEMBL6281843 0.79 SMN1; SMN2 (0.57) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6280169 0.79 KDM4E (0.57) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6286175 0.78 SMN1; SMN2 (0.70) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6281164 0.78 SMN1; SMN2 (0.60) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL24089986 0.78 ALOX12 (0.55) ALOX12MDM2RAB9AMAPTSMN1; SMN2
SCHEMBL6279307 0.78 KDM4E (0.56) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6278493 0.76 SMN1; SMN2 (0.70) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2

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-6897213-B1 Heterocycles as cholecystokinin (CCK) ligands WARNER-LAMBERT COMPANY (US) 2005-05-24 US disclosed
WO-1996020178-A1 NOVEL HETEROCYCLES AS CHOLECYSTOKININ (CCK) LIGANDS WARNER-LAMBERT COMPANY (US) 1996-07-04 WO disclosed