SCHEMBL12475874

SCHEMBL12475874

Nc1ncc(Oc2cc[c]cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MYC P01106 1/20 0.33
WDR5 P61964 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
SLC6A3 Q01959 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL13699054 0.81 NPC1 (0.42) NOS1POLBALDH1A1NPC1MAPT
SCHEMBL2655449 0.79 TEAD4 (0.47) NOS1POLBALDH1A1NPC1MAPT
SCHEMBL3772542 0.79 GAA (0.50) NOS1POLBALDH1A1NPC1MAPT
SCHEMBL184686 0.78 CYP19A1 (0.44) POLBALDH1A1MYCWDR5NPC1
SCHEMBL10329778 0.76 MAP4K4 (0.43) NOS1POLBALDH1A1NPC1MAPT
SCHEMBL184691 0.75 ALDH1A1 (0.47) POLBALDH1A1NPC1MAPTRAB9A
SCHEMBL2667227 0.72 POLB (0.36) NOS1POLBALDH1A1NPC1MAPT
SCHEMBL210658 0.72 LMNA (0.49) ALDH1A1SMN1; SMN2
SCHEMBL12476000 0.72 POLB (0.42) NOS1POLBALDH1A1NPC1MAPT
SCHEMBL12475998 0.72 TSHR (0.54) POLBALDH1A1NPC1MAPTRAB9A

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
WO-2012090219-A2 THIAZOLE COMPOUNDS USEFUL AS ACETYL-COA CARBOXYLASE (ACC) INHIBITORS JUBILANT BIOSYS LTD. (IN) 2012-07-05 WO disclosed