SCHEMBL31190898

SCHEMBL31190898

c1ccc([C@@H]2COC(c3ccccn3)=N2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
TAAR1 Q96RJ0 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 2/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
KDM4E B2RXH2 3/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41

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
SCHEMBL23014193 1.00 MAPT (0.54) MAPTTAAR1ALDH1A1SMN1; SMN2NPC1
SCHEMBL28692369 1.00 MAPT (0.54) MAPTTAAR1ALDH1A1SMN1; SMN2NPC1
SCHEMBL28695551 1.00 MAPT (0.54) MAPTTAAR1ALDH1A1SMN1; SMN2NPC1
SCHEMBL28712740 0.88 TAAR1 (0.51) MAPTTAAR1ALDH1A1SMN1; SMN2NPC1
SCHEMBL28712741 0.88 TAAR1 (0.51) MAPTTAAR1ALDH1A1SMN1; SMN2NPC1
SCHEMBL28711159 0.84 RAB9A (0.64) MAPTTAAR1ALDH1A1SMN1; SMN2NPC1
SCHEMBL22444717 0.84 MAPT (0.46) MAPTTAAR1ALDH1A1SMN1; SMN2NPC1
SCHEMBL28711161 0.84 RAB9A (0.64) MAPTTAAR1ALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7176096 0.84 MAPT (0.54) MAPTTAAR1ALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7173058 0.84 MAPT (0.54) MAPTTAAR1ALDH1A1SMN1; SMN2NPC1

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-118834236-A Method for constructing P-chiral phosphonamide compound by nickel catalysis 扬州大学 2024-10-25 CN disclosed