Bromide

Bromide

SCHEMBL9414720

Br.O=C1Nc2ccccc2C2=NC(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)CN12

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.46
ADRA2A known ✓ P08913 1/20 0.46
ADRA2B known ✓ P18089 1/20 0.46
ADRA2C known ✓ P18825 1/20 0.46
SLC6A2 known ✓ P23975 1/20 0.46
SLC6A4 known ✓ P31645 1/20 0.46
ADRA1A known ✓ P35348 1/20 0.46
ALDH1A1 P00352 4/20 0.48
ALDH3A1 P30838 1/20 0.48
DRD2 P14416 2/20 0.47
DRD1 P21728 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6292185 0.99 ALDH1A1 (0.48) ALDH1A1ALDH3A1DRD2DRD1KMT2A
SCHEMBL6291580 0.84 SIGMAR1 (0.44) DRD2CYP1A2CYP3A4HTR1ADRD3
SCHEMBL6292075 0.83 CYP1A2 (0.43) ALDH3A1DRD2DRD1CYP1A2CYP3A4
SCHEMBL3750412 0.78 CYP1A2 (0.44) ALDH1A1CYP1A2CYP3A4GAAHSD17B10
SCHEMBL9414681 0.76 DRD2 (0.51) DRD2CYP1A2CYP3A4HTR1ADRD3
SCHEMBL9414685 0.76 CYP1A2 (0.52) DRD2CYP1A2CYP3A4HTR1A
SCHEMBL9414742 0.74 HTR2C (0.51) DRD2CYP1A2CYP3A4HTR1A
SCHEMBL6292082 0.74 SIGMAR1 (0.47) HTR1ASMN1; SMN2
SCHEMBL8203911 0.73 DRD2 (0.75) ALDH1A1ALDH3A1DRD2DRD1KMT2A
SCHEMBL9414716 0.73 CYP3A4 (0.72) ALDH1A1DRD2KMT2AMEN1CYP1A2

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
EP-0594877-A1 Imidazo(1,2-c)quinazoline derivates as antihyper tensives and anti dysurics NATIONAL SCIENCE COUNCIL (TW) 1994-05-04 EP disclosed
US-5158953-A 2-substituted methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5(6H)-ones (thiones), the preparation and use thereof NATIONAL SCIENCE COUNCIL (TW) 1992-10-27 US disclosed