SCHEMBL14699734

SCHEMBL14699734

Cc1ccc2oc(-c3cc(C)c(-c4nc5cc(C)ccc5o4)cc3C)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.68
RAB9A P51151 11/20 0.68
ALDH1A1 P00352 11/20 0.68
SMN1; SMN2 Q16637 10/20 0.68
HPGD P15428 9/20 0.68
NPC1 O15118 9/20 0.68
HSD17B10 Q99714 8/20 0.68
MAPT P10636 6/20 0.68
CASP3 P42574 5/20 0.68
SENP7 Q9BQF6 5/20 0.68
SENP6 Q9GZR1 5/20 0.68
SENP8 Q96LD8 4/20 0.68
GAA P10253 1/20 0.68
TP53 P04637 6/20 0.67
POLB P06746 1/20 0.63
AGPAT2 O15120 4/20 0.58
NFKB1 P19838 5/20 0.56
NFKB2 Q00653 5/20 0.56
RELA Q04206 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56

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
SCHEMBL14668247 0.91 KDM4E (0.80) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL14148310 0.85 RAB9A (0.73) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL4500237 0.84 RAB9A (0.89) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12643346 0.84 RAB9A (0.89) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL13620844 0.83 KDM4E (0.69) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL30498604 0.83 KDM4E (0.69) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL14947173 0.81 ALDH1A1 (0.96) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL4544497 0.81 KDM4E (0.58) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12777024 0.81 KDM4E (0.61) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL23176646 0.81 KDM4E (0.65) KDM4ERAB9AALDH1A1SMN1; SMN2HPGD

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
EP-2008318-B1 METHOD FOR PREPARING DOPED ORGANIC SEMICONDUCTOR MATERIALS NOVALED AG (DE) 2013-02-13 EP disclosed