SCHEMBL8485028

SCHEMBL8485028

NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2c[nH]cn2)NC(=O)C(Cc2cccc3ccccc23)Cc2cccc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.53
▸ CA2 P00918 7/20 0.47
▸ CA1 P00915 4/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ FNTA P49354 1/20 0.41
▸ PGGT1B P53609 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RCE1 Q9Y256 1/20 0.41

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
SCHEMBL8485023 1.00 KMT2A (0.53) KMT2ACA2CA1CA12CA4
SCHEMBL8487755 0.90 HRH4 (0.48) CA2FNTAPGGT1B
SCHEMBL8487752 0.90 HRH4 (0.48) CA2FNTAPGGT1B
SCHEMBL8485139 0.87 FNTA (0.47) MMP2FNTAPGGT1B
SCHEMBL8485136 0.87 FNTA (0.47) MMP2FNTAPGGT1B
SCHEMBL8486463 0.84 HRH4 (0.44) MMP2FNTAPGGT1B
SCHEMBL8486470 0.84 HRH4 (0.44) MMP2FNTAPGGT1B
SCHEMBL8481703 0.83 REN (0.43) MMP1MMP2FNTAPGGT1B
SCHEMBL8481701 0.83 REN (0.43) MMP1MMP2FNTAPGGT1B
SCHEMBL8485799 0.82 CTSS (0.46) MMP2FNTAPGGT1B

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
US-6008372-A ANTICARCINOGENIC, ANTIRESTENOSIS AND ANTIPSORIASIS AGENT WARNER-LAMBERT COMPANY (US) 1999-12-28 — — US claimed
US-6008372-A ANTICARCINOGENIC, ANTIRESTENOSIS AND ANTIPSORIASIS AGENT WARNER-LAMBERT COMPANY (US) 1999-12-28 — — US disclosed
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