Bromide

Bromide

SCHEMBL6544779

Br.CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1ccc3nc(C(=O)OC(C)(C)C)n(C)c3c1)C2

nearest known ligand 0.35

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 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
F2R P25116 6/20 0.34
ACSS2 Q9NR19 4/20 0.33
IDH1 O75874 2/20 0.31
RIPK1 Q13546 1/20 0.30
RIPK3 Q9Y572 1/20 0.30

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 SCHEMBL6543733 0.86 MAPT (0.43) KDM4ENPC1MAPTRAB9AF2R
Bromide SCHEMBL5487726 0.82 F2R (0.40) KDM4ENPC1MAPTRAB9AF2R
Bromide SCHEMBL6544921 0.81 KDM4E (0.36) KDM4ENPC1MAPTRAB9AF2R
Bromide SCHEMBL1729176 0.81 MAPT (0.45) KDM4ENPC1MAPTRAB9AF2R
Bromide SCHEMBL1731167 0.79 MAPT (0.45) KDM4ENPC1MAPTRAB9AF2R
Bromide SCHEMBL1731059 0.78 F2R (0.43) KDM4ENPC1MAPTRAB9AF2R
Bromide SCHEMBL1730972 0.78 MAPT (0.47) KDM4ENPC1MAPTRAB9AF2R
Bromide SCHEMBL1730879 0.78 RAB9A (0.38) KDM4ENPC1MAPTRAB9AF2R
Bromide SCHEMBL6543728 0.78 F2R (0.43) KDM4ENPC1MAPTRAB9AF2R
Bromide SCHEMBL1729267 0.78 F2R (0.42) KDM4ENPC1MAPTRAB9AF2R

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-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed