SCHEMBL12984045

SCHEMBL12984045

Cc1cc(=O)[nH]c2cc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NC(Cc3ccc(NC(=S)NC(C(=O)O)C(C)OP(=O)(O)O)cc3)C(=O)O)CC(=O)O)CC(=O)O)ccc12

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CA1 P00915 10/20 0.32
▸ CA2 P00918 10/20 0.32
▸ CA4 P22748 4/20 0.31
▸ CA12 O43570 3/20 0.31
▸ CA9 Q16790 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ITGB1 P05556 4/20 0.31
▸ ITGA4 P13612 4/20 0.31
▸ TERT O14746 1/20 0.30
▸ ITGA2 P17301 1/20 0.30
▸ ITGB7 P26010 1/20 0.30

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
SCHEMBL12984359 0.92 LMNA (0.31) LMNACYP2C9HPGDCA1CA2
SCHEMBL12231494 0.77 TERT (0.33) LMNACYP2C9HPGDCA1CA2
SCHEMBL14367687 0.76 TERT (0.48) LMNACYP2C9HPGDCA1CA2
SCHEMBL13027061 0.72 CA1 (0.42) CA1CA2CA4CA12CA9
SCHEMBL13273544 0.71 CA1 (0.46) LMNACYP2C9HPGDCA1CA2
SCHEMBL12983642 0.68 CA1 (0.42) CA1CA2CA4CA12CA9
SCHEMBL23130692 0.66 TERT (0.43) LMNACYP2C9HPGDCA1CA12
SCHEMBL10001927 0.65 TERT (0.40) CA1CA2CA4CA12CA9
SCHEMBL15161172 0.65 CA1 (0.48) CA1CA2CA4CA12CA9
SCHEMBL10035654 0.64 TERT (0.55) LMNAALDH1A1TERT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100304404-A1 MOLECULAR MODIFICATION ASSAYS MOLECULAR DEVICES, LLC 2010-12-02 — — US disclosed
US-20100304404-A1 MOLECULAR MODIFICATION ASSAYS MOLECULAR DEVICES, LLC 2010-12-02 — — US disclosed
US-7632651-B2 Molecular modification assays MDS ANALYTICAL TECHNOLOGIES (US) INC. (US) 2009-12-15 — — US disclosed
US-7632651-B2 Molecular modification assays MDS ANALYTICAL TECHNOLOGIES (US) INC. (US) 2009-12-15 — — US disclosed
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