SCHEMBL21170495

SCHEMBL21170495

C=C(C(N)=O)c1cc(-c2ccc(NCC(C)(C)c3ccc(F)cc3)nn2)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IL1B P01584 7/20 0.35
FPR2 P25090 1/20 0.35
SCN9A Q15858 1/20 0.35
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TNF P01375 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SOAT2 O75908 1/20 0.32
SOAT1 P35610 1/20 0.32
CFTR P13569 1/20 0.32
MAPT P10636 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
SCHEMBL21170213 0.91 IL1B (0.37) IL1BFPR2SCN9APSEN1PSEN2
SCHEMBL21170253 0.89 IL1B (0.36) IL1BFPR2SCN9APSEN1PSEN2
SCHEMBL21170493 0.89 IL1B (0.37) IL1BFPR2SCN9APSEN1PSEN2
SCHEMBL21170265 0.88 IL1B (0.36) IL1BFPR2SCN9APSEN1PSEN2
SCHEMBL21170489 0.87 IL1B (0.36) IL1BFPR2SCN9APSEN1PSEN2
SCHEMBL21170503 0.86 IL1B (0.36) IL1BPSEN1PSEN2APH1BNCSTN
SCHEMBL21170119 0.85 IL1B (0.35) IL1BPSEN1PSEN2APH1BNCSTN
SCHEMBL21170248 0.85 HPGD (0.34) IL1BFPR2SCN9APSEN1PSEN2
SCHEMBL18470528 0.84 IL1B (0.34) IL1BFPR2SCN9APSEN1PSEN2
SCHEMBL21170344 0.82 IL1B (0.37) IL1BNPC1RAB9ATNFMAPT

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