SCHEMBL8038836

SCHEMBL8038836

C[C@H](Nc1ccc(Cl)nn1)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PSEN1 P49768 1/20 0.45
▸ PSEN2 P49810 1/20 0.45
▸ APH1B Q8WW43 1/20 0.45
▸ NCSTN Q92542 1/20 0.45
▸ APH1A Q96BI3 1/20 0.45
▸ PSENEN Q9NZ42 1/20 0.45
▸ PFKFB3 Q16875 1/20 0.42
▸ TNF P01375 1/20 0.40
▸ GRK6 P43250 1/20 0.40
▸ SCN1A P35498 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ PLK1 P53350 1/20 0.38
▸ GPR55 Q9Y2T6 3/20 0.38
▸ EGFR P00533 1/20 0.38
▸ CAMK2D Q13557 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
SCHEMBL8051390 0.82 GPR55 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17723376 0.82 ALDH1A1 (0.51) HTR7ALDH1A1GAAMAPT
SCHEMBL3559049 0.79 PLK1 (0.45) PFKFB3TNFGRK6SCN1ASCN5A
SCHEMBL3560403 0.78 CSF1R (0.58) PFKFB3TNFGRK6PLK1
SCHEMBL13313078 0.78 CSF1R (0.58) PFKFB3TNFGRK6PLK1
SCHEMBL8053632 0.74 PFKFB3 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8038839 0.74 NPC1 (0.46) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL8038833 0.72 PDE2A (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15247594 0.72 HDAC4 (0.50) —
SCHEMBL12411080 0.70 GAA (0.54) NPC1RAB9AMEN1KMT2AALDH1A1

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
Send feedback