Bromide

Bromide

SCHEMBL6289517

CN(C)c1cccc(C(=O)C[S+](C)C)c1.[Br-]

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 3/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
USP2 O75604 1/20 0.42
RAF1 P04049 1/20 0.42
TSHR P16473 2/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TP53 P04637 1/20 0.40

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 SCHEMBL6289562 0.80 ALDH1A1 (0.53) KMT2APOLBKDM4EALDH1A1HSD17B10
SCHEMBL941088 0.80 KMT2A (0.54) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL11108445 0.80 KMT2A (0.58) KMT2AL3MBTL1LMNAPOLBKDM4E
Hydrochloric Acid SCHEMBL7312871 0.78 KMT2A (0.53) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL6496987 0.78 KMT2A (0.53) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL556208 0.78 KMT2A (0.53) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL338575 0.78 KMT2A (0.53) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL1983267 0.77 L3MBTL1 (0.51) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL5740022 0.77 KDM4E (0.52) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL7056764 0.75 HPGD (0.59) KMT2AL3MBTL1LMNAPOLBKDM4E

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-6900250-B2 Polymerizable composition TOYO INK MFG. CO., LTD. (JP) 2005-05-31 US disclosed
US-20030212162-A1 Photopolymerization using photoinitiators TOYO INK MFG. CO., LTD. (JP) 2003-11-13 US disclosed