SCHEMBL27845232

SCHEMBL27845232

CC(=O)C(C)(Cc1cccnc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 5/20 0.55
▸ NAPRT Q6XQN6 1/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ BTN3A1 O00481 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ RIPK1 Q13546 1/20 0.46
▸ TBXAS1 P24557 5/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL7861665 0.82 FDPS (0.59) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL9671853 0.81 SMN1; SMN2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL28245984 0.81 FDPS (0.57) FDPSNAPRTCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL8504424 0.81 FDPS (0.57) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL25260235 0.79 FDPS (0.56) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL30969130 0.79 FDPS (0.56) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL25260237 0.79 FDPS (0.56) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL7382527 0.78 FDPS (0.54) FDPSNAPRTCYP1A2CYP3A4CYP2C9
Acetic Acid SCHEMBL28800761 0.78 FDPS (0.58) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL6191319 0.76 FDPS (0.52) FDPSNAPRTCYP1A2CYP3A4CYP2C9

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
CN-102333769-B Derivatives of 2-pyridin-2-yl-pyrazol-3 (2H) -one, preparation thereof, and therapeutic use as HIF activators SANOFI AVENTIS 2014-08-27 — — CN disclosed
CN-102333769-A Derivatives of 2-pyridin-2-yl-pyrazol-3 (2H) -one, preparation thereof, and therapeutic use as HIF activators SANOFI AVENTIS 2012-01-25 — — CN disclosed
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