SCHEMBL27767946

SCHEMBL27767946

COc1ccc(-c2nc(C[O])nc3ccccc23)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ACACA Q13085 1/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ GUSB P08236 1/20 0.53
▸ PDE4A P27815 3/20 0.50
▸ PDE4B Q07343 3/20 0.50
▸ PDE4C Q08493 3/20 0.50
▸ PDE4D Q08499 3/20 0.50
▸ DHODH Q02127 1/20 0.50
▸ ABCG2 Q9UNQ0 2/20 0.49
▸ ABCB1 P08183 1/20 0.48
▸ ABCC1 P33527 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.46

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
SCHEMBL326797 0.75 ABCG2 (0.57) L3MBTL1ACACAABCG2ABCB1ABCC1
SCHEMBL8885068 0.74 WHR1 (0.50) L3MBTL1ACACANPC1KDM4EALDH1A1
SCHEMBL8885954 0.74 WHR1 (0.50) L3MBTL1ACACAABCG2ABCB1ABCC1
SCHEMBL15075259 0.74 L3MBTL1 (1.00) L3MBTL1ACACANPC1KDM4EALDH1A1
SCHEMBL6001414 0.73 ABCG2 (0.58) L3MBTL1ACACAABCG2ABCB1ABCC1
Hydrochloric Acid SCHEMBL8131298 0.73 WHR1 (0.49) L3MBTL1ACACANPC1KDM4EALDH1A1
SCHEMBL8884353 0.73 WHR1 (0.49) L3MBTL1ACACANPC1KDM4EALDH1A1
SCHEMBL7819852 0.73 WHR1 (0.48) L3MBTL1ACACANPC1KDM4EALDH1A1
SCHEMBL8818335 0.73 L3MBTL1 (0.53) L3MBTL1ACACANPC1KDM4EALDH1A1
SCHEMBL7820197 0.71 PDE4A (0.48) L3MBTL1ACACAKDM4EALDH1A1HPGD

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
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 — — CN claimed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 — — CN disclosed
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