SCHEMBL16512866

SCHEMBL16512866

O=C(O)c1ccc2c(C3=CCCCC3)n(-c3ccccc3)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 2/20 0.46
▸ GRM2 Q14416 2/20 0.39
▸ SLC5A1 P13866 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ RPA1 P27694 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MGAM O43451 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PPP1CA P62136 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ CLCN2 P51788 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL16512390 0.82 PTGER1 (0.40) PTGER1GRM2SLC5A1ELANEALDH1A1
SCHEMBL16498311 0.79 CYP2C19 (0.50) PTGER1RPA1L3MBTL1MGAMALDH1A1
SCHEMBL16498279 0.77 CHEK1 (0.44) PTGER1GRM2SLC5A1ELANEL3MBTL1
SCHEMBL16512392 0.74 ADORA1 (0.43) ALDH1A1CYP2C9CYP2C19
SCHEMBL16499203 0.73 L3MBTL1 (0.46) RPA1L3MBTL1MGAMALDH1A1PPP1CA
SCHEMBL16498309 0.71 KEAP1 (0.43) RPA1L3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL16512871 0.68 ELANE (0.38) PTGER1GRM2SLC5A1ELANEALDH1A1
SCHEMBL16498268 0.68 KMT2A (0.42) ALDH1A1CYP2C9CYP2C19LMNASMN1; SMN2
SCHEMBL16498355 0.67 CFTR (0.37) SLC5A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14151556 0.67 ACMSD (0.48) PTGER1GRM2ELANEATRACMSD

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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