SCHEMBL9411079

SCHEMBL9411079

C/C(=N/O)c1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 6/20 0.40
▸ GFER P55789 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FURIN P09958 1/20 0.34

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
SCHEMBL6346578 1.00 CA9 (0.40) CA9GFERPOLBCASP3SENP8
SCHEMBL6346576 1.00 CA9 (0.40) CA9GFERPOLBCASP3SENP8
SCHEMBL7252160 0.82 FURIN (0.49) CA9GFERPOLBCASP3SENP8
SCHEMBL7252164 0.82 FURIN (0.49) CA9GFERPOLBCASP3SENP8
SCHEMBL12360950 0.81 CA9 (0.52) CA9GFERPOLBCASP3SENP8
SCHEMBL14298196 0.81 CA9 (0.52) CA9GFERPOLBCASP3SENP8
Water SCHEMBL4312372 0.77 LMNA (0.50) CA9GFERPOLBCASP3SENP8
SCHEMBL5958167 0.75 GAA (0.40) SMN1; SMN2MAPTRAB9AKMT2AFURIN
SCHEMBL5958164 0.75 GAA (0.40) SMN1; SMN2MAPTRAB9AKMT2AFURIN
SCHEMBL3389005 0.75 LMNA (0.39) SMN1; SMN2MAPTRAB9ACYP1A2HTT

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
EP-0581464-A1 Ester derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1994-02-02 — — EP claimed
EP-0581464-A1 Ester derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1994-02-02 — — EP disclosed
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