SCHEMBL1416035

SCHEMBL1416035

O=C(O)c1cnc2cc3ncccc3cc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MGAM O43451 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MCL1 Q07820 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ P4HTM Q9NXG6 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PABPC1 P11940 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL14806709 0.81 KMT2A (0.60) ALDH1A1ALOX15HPGDHSD17B10MEN1
SCHEMBL4791247 0.77 NPC1 (0.53) ALDH1A1ALOX15HPGDHSD17B10MEN1
SCHEMBL15610685 0.77 KDM4E (0.54) ALDH1A1ALOX15HPGDHSD17B10MEN1
SCHEMBL2801533 0.75 NPC1 (0.58) ALDH1A1ALOX15HSD17B10MEN1KMT2A
SCHEMBL30372045 0.75 NPC1 (0.58) ALDH1A1ALOX15HSD17B10MEN1KMT2A
SCHEMBL9318696 0.74 ALOX15 (0.58) ALDH1A1ALOX15HPGDHSD17B10MGAM
SCHEMBL11617994 0.73 ALOX15 (0.62) ALDH1A1ALOX15HPGDHSD17B10MEN1
SCHEMBL30899548 0.73 ALOX15 (0.62) ALDH1A1ALOX15HPGDHSD17B10MEN1
SCHEMBL29350099 0.73 NPC1 (0.65) ALDH1A1ALOX15HSD17B10MEN1KMT2A
SCHEMBL150476 0.73 NPC1 (0.65) ALDH1A1ALOX15HSD17B10MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1721898-B1 Quinoline and pyridoquinoxaline derivatives as antibacterial agents UNIV JORDAN (JO) 2011-03-16 — — EP disclosed
EP-1721898-A1 Quinoline and pyridoquinoxaline derivatives as antibacterial agents University of Jordan (JO) 2006-11-15 — — EP disclosed
EP-1721898-A1 Quinoline and pyridoquinoxaline derivatives as antibacterial agents University of Jordan (JO) 2006-11-15 — — EP disclosed
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