SCHEMBL9725403

SCHEMBL9725403

Cc1ccc2[nH]c(=O)n(CCN(C)C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.53
MPO P05164 3/20 0.43
CCR4 P51679 1/20 0.42
RAB9A P51151 1/20 0.42
HAVCR2 Q8TDQ0 1/20 0.41
CALCRL Q16602 1/20 0.41
NR3C1 P04150 1/20 0.40
PGR P06401 2/20 0.40
B3GNT2 Q9NY97 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.39

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 SCHEMBL9725357 0.99 DAO (0.51) DAOMPOCCR4RAB9AHAVCR2
SCHEMBL9725370 0.88 DAO (0.53) DAOMPOCCR4RAB9AHAVCR2
Hydrochloric Acid SCHEMBL9725468 0.87 DAO (0.51) DAOMPOCCR4RAB9AHAVCR2
SCHEMBL9725430 0.84 MPO (0.45) MPOCCR4RAB9AHAVCR2PGR
SCHEMBL9725376 0.84 DAO (0.51) DAOMPOCCR4PGRMEN1
SCHEMBL9725422 0.84 DAO (0.51) DAOMPOCCR4RAB9AHAVCR2
Hydrochloric Acid SCHEMBL9725385 0.83 MPO (0.50) DAOMPOCCR4RAB9APGR
SCHEMBL10085040 0.83 MPO (0.56) MPOHAVCR2NR3C1MEN1KMT2A
Hydrochloric Acid SCHEMBL9725500 0.83 MPO (0.50) DAOMPOCCR4RAB9ACALCRL
Hydrochloric Acid SCHEMBL9725529 0.83 MPO (0.44) MPOCCR4RAB9AHAVCR2PGR

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