SCHEMBL21170358

SCHEMBL21170358

C=C1Nc2ccc(-c3ccc(NCC(C)(C)c4ccc(F)cc4)nn3)cc2NC1=C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 6/20 0.39
▸ PSEN2 P49810 6/20 0.39
▸ APH1B Q8WW43 6/20 0.39
▸ NCSTN Q92542 6/20 0.39
▸ APH1A Q96BI3 6/20 0.39
▸ PSENEN Q9NZ42 6/20 0.39
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ IL1B P01584 7/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ TNF P01375 1/20 0.33
▸ APP P05067 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL21170134 0.94 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170238 0.86 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170473 0.84 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170112 0.84 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170490 0.84 SLC6A2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170107 0.83 NPC1 (0.34) NPC1RAB9AIL1BTNF
SCHEMBL12288231 0.83 NPC1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170172 0.81 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12286593 0.80 PDE3B (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170127 0.80 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 — — EP disclosed
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