SCHEMBL8038839

SCHEMBL8038839

C[C@H](Nc1ccc(Cl)nn1)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ SCN1A P35498 8/20 0.41
▸ SCN5A Q14524 8/20 0.41
▸ SCN8A Q9UQD0 8/20 0.41
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SCN1B Q07699 2/20 0.39
▸ TNF P01375 5/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SCN9A Q15858 1/20 0.38

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
SCHEMBL17723376 0.78 ALDH1A1 (0.51) ALDH1A1GAAMAPTMAP4K4
SCHEMBL8051390 0.75 GPR55 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8038836 0.74 NPC1 (0.48) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL12411080 0.73 GAA (0.54) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL15247585 0.70 MAPKAPK2 (0.44) MAPKAPK2ALDH1A1GAAMAPTTNF
SCHEMBL30923599 0.69 MAPKAPK2 (0.51) MAPKAPK2SCN1ASCN5ASCN8ASCN1B
SCHEMBL10094181 0.69 ALDH1A1 (0.53) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL8038833 0.69 PDE2A (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28860236 0.68 SCN1A (0.44) SCN1ASCN5ASCN8ASCN1BTNF
SCHEMBL11849300 0.67 ALDH1A1 (0.47) NPC1RAB9AALDH1A1GAAMAPT

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-2009050227-A1 PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION GLAXO GROUP LIMITED (GB) 2009-04-23 — — WO disclosed
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