Bromide

Bromide

SCHEMBL1729700

Br.CCS(=O)(=O)NCc1cc(C(=O)CN2Cc3ccc(C)nc3C2=N)cc(C)c1O

nearest known ligand 0.32

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 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
Bromide SCHEMBL1729694 0.83 KDM4E (0.32) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1731156 0.81 KDM4E (0.33) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL28740933 0.79 KDM4E (0.32) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL5494446 0.78 F2R (0.38) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1732098 0.77 KDM4E (0.34) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL5486707 0.77 F2R (0.37) KDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1731357 0.76 KDM4E (0.33) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL14449067 0.75 F2R (0.45) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL1729247 0.74 F2R (0.44) KDM4EMAPTRAB9ASMN1; SMN2
Bromide SCHEMBL1730666 0.73 F2R (0.35) KDM4EMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed