SCHEMBL7563410

SCHEMBL7563410

O=S(=O)(O)N1CCCC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.55
▸ PSEN2 P49810 1/20 0.55
▸ APH1B Q8WW43 1/20 0.55
▸ NCSTN Q92542 1/20 0.55
▸ APH1A Q96BI3 1/20 0.55
▸ PSENEN Q9NZ42 1/20 0.55
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNB4 P30926 1/20 0.51
▸ CHRNA3 P32297 1/20 0.51
▸ CHRNA7 P36544 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ ACLY P53396 1/20 0.50
▸ TRPA1 O75762 3/20 0.49
▸ RIPK1 Q13546 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 0.44

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
SCHEMBL24015590 0.84 CHRNB2 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24015576 0.84 CHRNB2 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24015592 0.84 CHRNB2 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6180588 0.81 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6180584 0.81 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25587628 0.79 RIPK1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25587630 0.79 RIPK1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25587656 0.79 RIPK1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16268060 0.78 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28330087 0.78 PSEN1 (0.61) 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-1229019-A1 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC ENAMINONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-08-07 — — EP disclosed
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