SCHEMBL9725422

SCHEMBL9725422

CN(C)CCn1c(=O)[nH]c2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.51
MPO P05164 5/20 0.49
XDH P47989 1/20 0.46
MAOB P27338 1/20 0.45
PLK1 P53350 1/20 0.45
PGR P06401 3/20 0.44
CCR4 P51679 1/20 0.41
CALCRL Q16602 1/20 0.41
RAB9A P51151 1/20 0.41
HAVCR2 Q8TDQ0 1/20 0.40

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
Hydrochloric Acid SCHEMBL9725500 0.99 MPO (0.50) DAOMPOXDHMAOBPLK1
SCHEMBL9725403 0.84 DAO (0.53) DAOMPOPGRCCR4CALCRL
SCHEMBL9725376 0.83 DAO (0.51) DAOMPOXDHMAOBPGR
SCHEMBL9725430 0.83 MPO (0.45) MPOPGRCCR4RAB9AHAVCR2
Hydrochloric Acid SCHEMBL9725357 0.83 DAO (0.51) DAOMPOPGRCCR4CALCRL
SCHEMBL9725478 0.82 KDM4E (0.52) MAOBPGRCCR4
SCHEMBL17845586 0.82 DAO (0.57) DAOMPOMAOBPGRCALCRL
Hydrochloric Acid SCHEMBL9725385 0.82 MPO (0.50) DAOMPOXDHMAOBPGR
Hydrochloric Acid SCHEMBL9725529 0.82 MPO (0.44) MPOPGRCCR4RAB9AHAVCR2
Hydrochloric Acid SCHEMBL9725560 0.81 KDM4E (0.51) MAOBCCR4RAB9A

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
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed