SCHEMBL16498371

SCHEMBL16498371

COc1ccc(-n2nc3cc(C(=O)O)ccc3c2C2=CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GFER P55789 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RPA1 P27694 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36

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
SCHEMBL16498279 0.87 CHEK1 (0.44) MAPTRAB9ANPC1POLBHTT
SCHEMBL16498355 0.74 CFTR (0.37) TP53MAPTKDM4ERAB9ANPC1
SCHEMBL16498513 0.74 TP53 (0.46) TP53MAPTKDM4ELMNAALDH1A1
SCHEMBL16498847 0.74 MAPT (0.36) TP53MAPTKDM4ERAB9ANPC1
SCHEMBL16512790 0.73 SLC5A1 (0.35) TP53MAPTKDM4ERAB9ANPC1
SCHEMBL16512871 0.68 ELANE (0.38) MAPTKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL16498236 0.67 CHEK1 (0.53) TP53MAPTKDM4ERAB9ANPC1
SCHEMBL23675185 0.67 HCAR3 (0.56) TP53MAPTGFERLMNAHTT
SCHEMBL16512866 0.66 PTGER1 (0.46) SMN1; SMN2LMNAALDH1A1RPA1
SCHEMBL16498450 0.65 TP53 (0.45) TP53MAPTSMN1; SMN2HTTALDH1A1

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-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO disclosed
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