SCHEMBL21170239

SCHEMBL21170239

C=C1Nc2ccc(-c3ccc(NCC(C)(C)c4ccccc4F)nn3)cc2N1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33
▸ IL1B P01584 7/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ NPC1 O15118 3/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL21170107 0.86 NPC1 (0.34) IL1BKCNH2NPC1RAB9AUSP2
SCHEMBL21170134 0.84 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12287262 0.80 MAPT (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170358 0.78 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170210 0.78 NPC1 (0.36) IL1BNPC1RAB9AUSP2TP53
SCHEMBL12286720 0.76 NPC1 (0.40) IL1BNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21170238 0.75 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170112 0.69 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170490 0.69 SLC6A2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21170473 0.69 PSEN1 (0.35) 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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