SCHEMBL17888980

SCHEMBL17888980

COc1ccc(Cc2nc3cc(OC(=O)O)ccc3c(=O)[nH]2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ RNASEH1 O60930 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ PDE5A O76074 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ USP2 O75604 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PARP14 Q460N5 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
SCHEMBL17888978 0.85 MMP13 (0.58) PDE5AUSP2KMT2APARP14MMP13
SCHEMBL403796 0.85 PDE5A (0.64) POLBRNASEH1ALDH1A1MAPK1HPGD
SCHEMBL13368151 0.83 POLB (0.57) POLBRNASEH1ALDH1A1MAPK1HPGD
SCHEMBL17888985 0.83 POLB (0.52) POLBALDH1A1MAPK1KDM4ETDP1
SCHEMBL17888977 0.83 RNASEH1 (0.55) POLBRNASEH1KDM4EPDE5ATDP1
SCHEMBL404601 0.82 KDM4E (0.56) POLBRNASEH1ALDH1A1MAPK1HPGD
SCHEMBL17888986 0.80 PDE5A (0.72) POLBALDH1A1KDM4EPDE5ATDP1
SCHEMBL10054202 0.80 POLB (0.53) POLBRNASEH1ALDH1A1MAPK1HPGD
SCHEMBL403588 0.80 PDE5A (0.53) POLBRNASEH1ALDH1A1MAPK1HPGD
SCHEMBL401317 0.78 PDE5A (0.62) POLBRNASEH1ALDH1A1MAPK1HPGD

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
EP-2050739-B1 QUINAZOLINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-07-06 — — EP claimed
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