SCHEMBL7313954

SCHEMBL7313954

CNc1ccc(-n2nc3c4ccccc4[nH]cc-3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.41
▸ GAA P10253 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SIRT2 Q8IXJ6 2/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PRKCB P05771 3/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CDK2 P24941 2/20 0.37

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
SCHEMBL7315296 0.87 STING1 (0.44) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1466280 0.86 ALDH1A1 (0.50) GAAALDH1A1SIRT2SIRT1LMNA
SCHEMBL29896410 0.86 ALDH1A1 (0.50) GAAALDH1A1SIRT2SIRT1LMNA
SCHEMBL7308514 0.84 GAA (0.51) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL7306658 0.84 PDPK1 (0.42) GAAALDH1A1KDM4ESIRT2SIRT1
SCHEMBL7308745 0.84 AR (0.41) GAAALDH1A1KDM4ESIRT2SIRT1
SCHEMBL1466285 0.83 PDGFRB (0.51) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL5773359 0.81 HTT (0.53) GAAALDH1A1HPGDMAPTKMT2A
SCHEMBL7307348 0.81 IDO1 (0.45) GAAALDH1A1KDM4ESIRT2SIRT1
SCHEMBL7315283 0.80 NPC1 (0.54) GAAALDH1A1KDM4EMAPTMEN1

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-4312870-A TRANQUILIZERS, ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1982-01-26 — — US disclosed
EP-0022078-A1 Pyrazolo-quinolines, processes for their production, and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1981-01-07 — — EP disclosed
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