SCHEMBL9725430

SCHEMBL9725430

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HAVCR2 Q8TDQ0 1/20 0.43
CCR4 P51679 1/20 0.41
RAB9A P51151 1/20 0.41
AKT2 P31751 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PGR P06401 2/20 0.39
B3GNT2 Q9NY97 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 1/20 0.39
SLC6A4 P31645 1/20 0.38

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 SCHEMBL9725529 0.99 MPO (0.44) MPOSMN1; SMN2HAVCR2CCR4RAB9A
SCHEMBL9725470 0.89 MPO (0.45) MPOSMN1; SMN2HAVCR2CCR4RAB9A
Hydrochloric Acid SCHEMBL9725446 0.87 MPO (0.44) MPOSMN1; SMN2HAVCR2CCR4RAB9A
SCHEMBL9725403 0.84 DAO (0.53) MPOHAVCR2CCR4RAB9APGR
Hydrochloric Acid SCHEMBL9725357 0.83 DAO (0.51) MPOHAVCR2CCR4RAB9APGR
SCHEMBL9725422 0.83 DAO (0.51) MPOHAVCR2CCR4RAB9APGR
SCHEMBL9725376 0.83 DAO (0.51) MPOSMN1; SMN2CCR4PGRMEN1
SCHEMBL9725356 0.82 CCR4 (0.43) MPOSMN1; SMN2HAVCR2CCR4RAB9A
Hydrochloric Acid SCHEMBL9725385 0.82 MPO (0.50) MPOSMN1; SMN2CCR4RAB9APGR
Hydrochloric Acid SCHEMBL9725500 0.82 MPO (0.50) MPOCCR4RAB9APGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP claimed
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