SCHEMBL7900644

SCHEMBL7900644

c1ccc2c(c1)cnc1c3ccccc3c3c(c21)CCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
GPR3 P46089 1/20 0.39
BCHE P06276 6/20 0.38
ACHE P22303 6/20 0.38
LMNA P02545 5/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
GRK6 P43250 1/20 0.37
NPC1 O15118 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIM1 P11309 3/20 0.35

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
SCHEMBL7901264 0.97 KDM4E (0.39) KDM4EGPR3BCHEACHELMNA
SCHEMBL7893958 0.93 KDM4E (0.41) KDM4EGPR3ACHELMNAMAPT
SCHEMBL7900647 0.78 KDM4E (0.41) KDM4EGPR3BCHEACHEMAPT
SCHEMBL16535869 0.76 KDM4E (0.48) KDM4EGPR3ALDH1A1HPGDPIM1
SCHEMBL7901266 0.74 KIF11 (0.42) KDM4EGPR3BCHEACHELMNA
SCHEMBL22049815 0.73 KDM4E (0.45) KDM4EGPR3ALDH1A1HPGDPIM1
SCHEMBL11743927 0.72 KIF11 (0.43) KDM4EGPR3BCHEACHEALDH1A1
SCHEMBL6919575 0.72 ALDH1A1 (0.49) KDM4EGPR3LMNAMAPTALDH1A1
SCHEMBL8088682 0.72 ACHE (0.46) KDM4EGPR3BCHEACHELMNA
SCHEMBL17409892 0.71 KIF11 (0.42) KDM4EGPR3BCHEACHEALDH1A1

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-6187783-B1 ANTITUMOR AGENTS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed