SCHEMBL27968340

SCHEMBL27968340

COc1cnn(-c2ccccc2)c1-c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
MAPT P10636 5/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 7/20 0.45
NPSR1 Q6W5P4 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPBWR1 P48145 1/20 0.45
HPGDS O60760 1/20 0.45
PPARG P37231 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
HIF1A Q16665 2/20 0.44
MCL1 Q07820 1/20 0.44
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.43
RAB9A P51151 4/20 0.43

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
SCHEMBL8765022 0.80 HIF1A (0.58) GAAMAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL8765028 0.74 HIF1A (0.55) MAPTALDH1A1NPSR1SMN1; SMN2HIF1A
SCHEMBL27968342 0.73 NPC1 (0.44) GAAMAPTALDH1A1SMN1; SMN2HIF1A
SCHEMBL4191657 0.73 RAB9A (0.76) GAAMAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL28295008 0.73 ALDH1A1 (0.49) GAAMAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL29750323 0.71 ALDH1A1 (0.54) GAAMAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL19423236 0.70 FABP3 (0.65) MAPTTP53LMNAATMMEN1
SCHEMBL1438281 0.68 NPC1 (0.54) GAAMAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL140231 0.68 GAA (0.72) GAAMAPTALDH1A1NPSR1SMN1; SMN2
SCHEMBL15426090 0.68 PDE10A (0.51) GAAMAPTALDH1A1HPGDSRAB9A

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
CN-103819465-A Novel compound MITSUBISHI TANABE PHARMA CORP 2014-05-28 CN disclosed