SCHEMBL8375899

SCHEMBL8375899

NC(=O)c1cccc2[nH]c3c(Cc4ccccn4)ccc(O)c3c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.38
DHODH Q02127 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
PNP P00491 1/20 0.36
IDO1 P14902 1/20 0.35
BTK Q06187 2/20 0.35
PARP10 Q53GL7 1/20 0.34
JAK2 O60674 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADRA1D P25100 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F7 P08709 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
SCHEMBL8372846 0.86 KDM4E (0.42) JAK2KDM4E
SCHEMBL30007625 0.84 PLA2G2A (0.35) PARP1DHODHPARP2AURKARPS6KB1
SCHEMBL8371587 0.80 CYP1A2 (0.39) PARP1KDM4E
SCHEMBL8374844 0.80 PARP1 (0.40) PARP1AURKARPS6KB1BTKKDM4E
SCHEMBL8373611 0.80 PARP1 (0.40) PARP1AURKARPS6KB1BTKJAK2
SCHEMBL8375950 0.80 PARP1 (0.37) PARP1AURKARPS6KB1JAK2KDM4E
SCHEMBL8374833 0.80 PKN1 (0.42) PARP1DHODHPARP2PNPIDO1
SCHEMBL8372849 0.79 BTK (0.45) PARP1BTKJAK2KDM4E
SCHEMBL8371603 0.77 PARP1 (0.43) PARP1AURKARPS6KB1
SCHEMBL8371575 0.77 PARP1 (0.36) PARP1DHODHKDM4E

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-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP claimed