SCHEMBL4717705

SCHEMBL4717705

C[C@@H](N)CN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
SPPL2A Q8TCT8 6/20 0.36
PSEN1 P49768 5/20 0.36
PSEN2 P49810 5/20 0.36
APH1B Q8WW43 5/20 0.36
NCSTN Q92542 5/20 0.36
APH1A Q96BI3 5/20 0.36
PSENEN Q9NZ42 5/20 0.36
PARG Q86W56 1/20 0.35
RORC P51449 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.33
BRD4 O60885 1/20 0.33
CDC7 O00311 1/20 0.32
PLK4 O00444 1/20 0.32
MAPK13 O15264 1/20 0.32
PDPK1 O15530 1/20 0.32
DYRK3 O43781 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 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
SCHEMBL4717707 1.00 RXFP1 (0.40) RXFP1SPPL2APSEN1PSEN2APH1B
Butyric Acid SCHEMBL4155430 0.91 KDM4E (0.37) RXFP1SPPL2APSEN1PSEN2APH1B
Butyric Acid SCHEMBL4166269 0.91 KDM4E (0.37) RXFP1SPPL2APSEN1PSEN2APH1B
SCHEMBL4716505 0.84 RXFP1 (0.38) RXFP1PARGKDM4ETP53HSD17B10
SCHEMBL4714851 0.81 CA2 (0.35) RXFP1PARGKDM4ETP53BRD4
SCHEMBL4715853 0.81 CA2 (0.35) RXFP1PARGKDM4ETP53BRD4
SCHEMBL4717207 0.81 MAPT (0.47) RXFP1PARGKDM4EBRD4HSD17B10
SCHEMBL3249112 0.81 MAPT (0.38) RXFP1SPPL2APSEN1PSEN2APH1B
SCHEMBL3251302 0.81 MAPT (0.38) RXFP1SPPL2APSEN1PSEN2APH1B
SCHEMBL3249109 0.81 MAPT (0.38) RXFP1SPPL2APSEN1PSEN2APH1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP claimed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO claimed