SCHEMBL14237588

SCHEMBL14237588

CC(C)(C)C1CC(Oc2cc(=O)n(-c3ccc([N+](=O)[O-])cc3)nc2C#N)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HTT P42858 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ POLB P06746 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ BCAT1 P54687 1/20 0.32
▸ AR P10275 1/20 0.31

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
SCHEMBL14237358 0.88 GPR119 (0.39) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL1549963 0.86 MAPT (0.38) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL14237370 0.85 NPC1 (0.40) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL14237555 0.85 CHEK1 (0.34) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL14237689 0.84 GPR119 (0.37) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL14237635 0.83 NPC1 (0.33) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL12234574 0.81 ALDH1A1 (0.49) MAPTALDH1A1LMNA
SCHEMBL14237714 0.79 GPR6 (0.36) AR
SCHEMBL14237616 0.75 GPR119 (0.39) —
SCHEMBL14237366 0.74 GPR119 (0.36) AR

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
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP claimed
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