SCHEMBL31056773

SCHEMBL31056773

O=C(O)c1ccccc1C1CNCCCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
PARP1 P09874 2/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34

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
SCHEMBL30109175 0.91 PARP1 (0.44) CYP2C9ALDH1A1ALOX15CHRNB2CHRNB4
SCHEMBL15203701 0.91 PARP1 (0.44) CYP2C9ALDH1A1ALOX15CHRNB2CHRNB4
SCHEMBL28452039 0.83 PARP1 (0.43) CYP2C9ALDH1A1ALOX15CHRNB2CHRNA4
SCHEMBL28789929 0.83 PARP1 (0.43) CYP2C9ALDH1A1ALOX15CHRNB2CHRNA4
SCHEMBL10648168 0.83 CYP2C9 (0.42) CYP2C9ALDH1A1ALOX15TSHRNPSR1
SCHEMBL31056891 0.78 PARP1 (0.44) CYP2C9ALDH1A1ALOX15PARP1KMT2A
SCHEMBL31424094 0.77 ALDH1A1 (0.46) CYP2C9ALDH1A1ALOX15PARP1TSHR
SCHEMBL3254494 0.77 PARP1 (0.55) ALDH1A1PARP1TSHRRPS6KB1
SCHEMBL31056764 0.77 CYP2C9 (0.41) CYP2C9ALDH1A1ALOX15PARP1KMT2A
SCHEMBL16446714 0.77 PARP1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4PARP1

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed