SCHEMBL14964189

SCHEMBL14964189

C[C@@H](O)[C@@H](C)Oc1ccc2nc(C(=O)O)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.36
RBP4 P02753 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
TSHR P16473 1/20 0.32
PDE10A Q9Y233 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 1/20 0.30
MCL1 Q07820 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL14964290 0.84 KDM4E (0.46) KDM4ERAB9ANPC1KMT2AL3MBTL1
SCHEMBL14655212 0.81 KDM4E (0.47) KDM4ERAB9ANPC1KMT2AL3MBTL1
SCHEMBL14655211 0.81 KDM4E (0.47) KDM4ERAB9ANPC1KMT2AL3MBTL1
SCHEMBL14655213 0.81 KDM4E (0.47) KDM4ERAB9ANPC1KMT2AL3MBTL1
SCHEMBL14964178 0.80 KDM4E (0.53) KDM4ERAB9ANPC1KMT2AL3MBTL1
SCHEMBL14655348 0.76 KDM4E (0.48) KDM4ERAB9ANPC1KMT2AL3MBTL1
SCHEMBL12891188 0.75 PTGS1 (0.41) KDM4ERAB9ANPC1KMT2AL3MBTL1
SCHEMBL14655219 0.73 KDM4E (0.47) KDM4ERAB9ANPC1KMT2AL3MBTL1
SCHEMBL20031270 0.72 RBP4 (0.46) KDM4ERAB9ANPC1KMT2AL3MBTL1
SCHEMBL14964195 0.72 KDM4E (0.46) KDM4ERAB9ANPC1KMT2AL3MBTL1

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-8449949-B2 Compositions and methods for creating electronic circuitry E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-8450354-B2 Substituted imidazo[1,2-b]pyridazine derivatives, pharmaceutical compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-05-28 US disclosed