SCHEMBL16166314

SCHEMBL16166314

Nc1c(C(=O)O)nnn1Cc1ccc(Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.78
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.58
GALR3 O60755 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
NR2F2 P24468 1/20 0.58
HIF1A Q16665 1/20 0.58
MAPT P10636 4/20 0.58
CYP1A2 P05177 1/20 0.57
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL13401381 0.88 HPGD (1.00) HPGDHTTSMN1; SMN2MAPTCYP1A2
SCHEMBL16166731 0.82 HPGD (0.60) HPGDHTTSMN1; SMN2GALR3CYP3A4
SCHEMBL7265907 0.82 SMN1; SMN2 (0.80) HPGDHTTSMN1; SMN2GALR3CYP3A4
SCHEMBL2152976 0.77 SMN1; SMN2 (0.72) HPGDHTTSMN1; SMN2GALR3CYP3A4
SCHEMBL11245223 0.77 HPGD (0.80) HPGDHTTSMN1; SMN2GALR3CYP3A4
SCHEMBL17491765 0.75 SMN1; SMN2 (0.73) HPGDHTTSMN1; SMN2GALR3CYP3A4
SCHEMBL6221552 0.75 HPGD (0.74) HPGDHTTSMN1; SMN2MAPTCYP1A2
SCHEMBL10348460 0.75 POLB (0.62) HPGDSMN1; SMN2GALR3CYP3A4CYP2C9
SCHEMBL3826559 0.75 SMN1; SMN2 (0.54) HPGDHTTSMN1; SMN2GALR3CYP3A4
SCHEMBL9475525 0.75 POLB (0.62) HPGDHTTSMN1; SMN2GALR3CYP3A4

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
WO-2014167528-A1 SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-10-16 WO disclosed
WO-2014167528-A1 SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-10-16 WO disclosed