SCHEMBL30005873

SCHEMBL30005873

NC(=O)NCc1cccc(C(N)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.59
KDM1A O60341 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
ENPP2 Q13822 1/20 0.52
RECQL P46063 1/20 0.51
MEP1B Q16820 1/20 0.51
AURKA O14965 1/20 0.51
RPS6KB1 P23443 1/20 0.51
AURKB Q96GD4 1/20 0.51
VNN1 O95497 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PARP1 P09874 5/20 0.48
ROCK2 O75116 2/20 0.48
KLKB1 P03952 1/20 0.47
FAAH O00519 1/20 0.47

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
SCHEMBL23316731 0.88 NR1H4 (0.58) RECQLMEP1B
SCHEMBL15600277 0.88 CYP1A2 (0.59) F10KDM1AMAOAMAOBENPP2
SCHEMBL8513394 0.87 RECQL (0.59) RECQLCYP2C9CYP2C19
SCHEMBL30940553 0.86 F10 (0.60) F10KDM1AMAOAMAOBENPP2
SCHEMBL23316624 0.86 PRSS1 (0.59) F10
SCHEMBL2828029 0.86 F10 (0.57) F10KDM1AMAOAMAOBENPP2
SCHEMBL24782509 0.83 SLC7A5 (0.57) F10RECQLAURKARPS6KB1AURKB
SCHEMBL13853740 0.83 F10 (0.54) F10KDM1AMAOAMAOBENPP2
SCHEMBL30491754 0.82 F10 (0.56) F10KDM1AMAOAMAOBENPP2
SCHEMBL14786544 0.82 F10 (0.53) F10KDM1AMAOAMAOBENPP2

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed