SCHEMBL4420899

SCHEMBL4420899

COc1cc(C(=O)c2ncn3ccc(C(=O)O)cc23)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 1/20 0.47
▸ ABCC8 Q09428 1/20 0.47
▸ KCNJ11 Q14654 1/20 0.47
▸ KCNJ8 Q15842 1/20 0.47
▸ PYGL P06737 5/20 0.40
▸ TSHR P16473 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ P4HTM Q9NXG6 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ TPMT P51580 1/20 0.36
▸ CA9 Q16790 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
SCHEMBL15903926 0.81 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PYGL
SCHEMBL29440834 0.81 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PYGL
SCHEMBL4420902 0.79 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8PYGL
SCHEMBL1573154 0.79 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8PYGL
SCHEMBL4497581 0.72 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8TSHR
SCHEMBL1573133 0.71 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8NR1H4
SCHEMBL7078236 0.70 CYP1A2 (0.55) ABCC9ABCC8KCNJ11KCNJ8PYGL
SCHEMBL2552734 0.66 TSHR (0.74) TSHRNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL29785065 0.66 TSHR (0.74) TSHRNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL10632105 0.66 CA12 (0.61) PYGLTSHRCA12CA1CA2

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-2018165-A1 FGF-PECEPTOR AGONIST DIMERIC COMPOUNDS Sanofi-Aventis (FR) 2009-01-28 — — EP disclosed
WO-2007080325-A1 FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS SANOFI-AVENTIS (FR) 2007-07-19 — — WO disclosed
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