SCHEMBL3950033

SCHEMBL3950033

OC(=C(c1ccccc1)c1ccc2ccccc2n1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.61
▸ MGAM O43451 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ RAB9A P51151 3/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KDM4C Q9H3R0 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL4138620 0.87 CNR2 (0.62) CNR2MGAMSMN1; SMN2KDM4ERAB9A
SCHEMBL9867679 0.85 CNR2 (0.65) CNR2MGAMSMN1; SMN2KDM4ERAB9A
SCHEMBL7832199 0.76 CNR2 (1.00) CNR2MGAMSMN1; SMN2KDM4ERAB9A
SCHEMBL28605670 0.76 CNR2 (0.62) CNR2MGAMSMN1; SMN2KDM4ERAB9A
SCHEMBL30227109 0.76 CNR2 (1.00) CNR2MGAMSMN1; SMN2KDM4ERAB9A
SCHEMBL27838449 0.74 CNR2 (0.96) CNR2MGAMSMN1; SMN2KDM4ERAB9A
SCHEMBL7978995 0.74 CNR2 (0.51) CNR2MGAMSMN1; SMN2KDM4ERAB9A
SCHEMBL8822077 0.74 CNR2 (0.51) CNR2MGAMSMN1; SMN2KDM4ERAB9A
SCHEMBL9695920 0.73 CNR2 (0.59) CNR2MGAMSMN1; SMN2KDM4ERAB9A
SCHEMBL12256867 0.72 MGAM (0.64) CNR2MGAMSMN1; SMN2KDM4ERAB9A

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
WO-2009024095-A1 METHOD OF MAKING AND ADMINISTERING QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2009-02-26 — — WO claimed
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