SCHEMBL16166249

SCHEMBL16166249

CCOC(=O)c1cnn(Cc2ccc(Cl)cc2)c1N

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.83
LMNA P02545 3/20 0.83
ALDH1A1 P00352 6/20 0.69
TSHR P16473 3/20 0.67
SMN1; SMN2 Q16637 4/20 0.59
KMT2A Q03164 4/20 0.59
HTT P42858 1/20 0.57
HPGD P15428 5/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 2/20 0.53
TP53 P04637 1/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 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
SCHEMBL4832108 0.88 NPC1 (0.81) NPC1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL370942 0.88 LMNA (0.80) NPC1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL16166267 0.85 NPC1 (0.65) NPC1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL19780049 0.85 NPC1 (0.67) NPC1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL16166191 0.84 ALDH1A1 (0.76) NPC1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL16246840 0.84 NPC1 (0.74) NPC1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL16246985 0.83 NPC1 (0.72) NPC1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL16252396 0.82 NPC1 (0.58) NPC1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL17784872 0.82 NPC1 (0.70) NPC1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL16175848 0.81 TSHR (0.78) NPC1LMNAALDH1A1TSHRSMN1; SMN2

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