SCHEMBL7658852

SCHEMBL7658852

O=C1CNc2ccc3ncccc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
MAPT P10636 8/20 0.48
ALDH1A1 P00352 6/20 0.46
PTK2B Q14289 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
POLB P06746 4/20 0.46
HPGD P15428 3/20 0.46
RECQL P46063 3/20 0.44
LMNA P02545 6/20 0.43
GAA P10253 5/20 0.43
BLM P54132 2/20 0.43
MCL1 Q07820 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 3/20 0.41
MDM2 Q00987 1/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL3335156 0.73 MAPT (0.48) KDM4EMAPTALDH1A1PTK2BSMN1; SMN2
SCHEMBL25757649 0.73 MAPT (0.48) KDM4EMAPTLMNABLMHTT
SCHEMBL2296665 0.70 MAPT (0.44) KDM4EMAPTALDH1A1PTK2BSMN1; SMN2
SCHEMBL13859959 0.69 MAPT (0.71) KDM4EMAPTALDH1A1POLBLMNA
SCHEMBL5773101 0.69 GSK3B (0.51) KDM4EMAPTLMNABLMHTT
SCHEMBL12210337 0.69 TDP1 (0.45) KDM4EALDH1A1SMN1; SMN2GAABLM
SCHEMBL217044 0.69 MAPT (1.00) KDM4EMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL6872589 0.68 KDM4E (0.36) KDM4EMAPTALDH1A1PTK2BSMN1; SMN2
SCHEMBL6610170 0.68 SMN1; SMN2 (0.48) KDM4EMAPTALDH1A1PTK2BSMN1; SMN2
SCHEMBL6610179 0.68 SMN1; SMN2 (0.48) KDM4EMAPTALDH1A1PTK2BSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498176-B1 INHIBITING TUMOR GROWTH VIA INHIBITION OF TUMOR-RELATED ANGIOGENESIS SMITHKLINEBEECHAM CORPORATION 2002-12-24 US disclosed