SCHEMBL9725374

SCHEMBL9725374

CN(C)CCn1c(=O)[nH]c2c(Br)c(Br)c(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
MPO P05164 3/20 0.35
HAVCR2 Q8TDQ0 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CCR4 P51679 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TLR7 Q9NYK1 5/20 0.33
PIM1 P11309 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
WEE1 P30291 1/20 0.32

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 SCHEMBL9725534 0.99 DAO (0.35) DAOCSNK2A2CSNK2BCSNK2A1MPO
SCHEMBL9725387 0.83 DAO (0.36) DAOMPOHAVCR2PDE4APDE4B
Hydrochloric Acid SCHEMBL9725460 0.82 DAO (0.35) DAOMPOHAVCR2PDE4APDE4B
SCHEMBL9725356 0.79 CCR4 (0.43) DAOMPOHAVCR2CCR4SMN1; SMN2
Hydrochloric Acid SCHEMBL9725475 0.78 CCR4 (0.42) DAOMPOHAVCR2CCR4SMN1; SMN2
SCHEMBL9725424 0.73 CCR4 (0.50) MPOCCR4KDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9725372 0.72 CCR4 (0.49) MPOCCR4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9725430 0.71 MPO (0.45) MPOHAVCR2CCR4SMN1; SMN2CYP1A2
SCHEMBL9725470 0.71 MPO (0.45) MPOHAVCR2CCR4SIGMAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL9725529 0.70 MPO (0.44) MPOHAVCR2CCR4SIGMAR1SMN1; SMN2

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