SCHEMBL22920105

SCHEMBL22920105

OCc1cc(C2=CCCCC2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.51
ACMSD Q8TDX5 2/20 0.42
TDP1 Q9NUW8 1/20 0.38
PSMB5 P28074 2/20 0.37
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC3 O15379 2/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
KDR P35968 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PAX8 Q06710 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL21377331 0.81 LNPEP (0.48) LNPEPACMSDTDP1PSMB5HDAC1
SCHEMBL20400991 0.76 PSMB5 (0.41) LNPEPACMSDTDP1PSMB5HDAC1
SCHEMBL29447639 0.76 PSMB5 (0.41) LNPEPACMSDTDP1PSMB5HDAC1
SCHEMBL16188025 0.76 PSMB5 (0.46) LNPEPACMSDTDP1PSMB5KDR
SCHEMBL15465713 0.76 HDAC1 (0.43) LNPEPACMSDTDP1PSMB5HDAC1
SCHEMBL27572022 0.76 ACMSD (0.42) LNPEPACMSDTDP1PSMB5HDAC1
SCHEMBL24572384 0.75 ACMSD (0.56) LNPEPACMSDTDP1PSMB5HDAC1
SCHEMBL26984327 0.73 ACMSD (0.47) LNPEPACMSDTDP1PSMB5HDAC1
SCHEMBL11862219 0.72 ACMSD (0.47) ACMSDTDP1PSMB5HDAC1HDAC2
SCHEMBL2173463 0.72 KDR (0.51) LNPEPACMSDTDP1PSMB5HDAC1

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-2021016333-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2021-01-28 WO disclosed