Bromide

Bromide

SCHEMBL10733467

Br.Cc1nc(=O)n(CCC(=O)O)c2cc(O)c(O)cc12

nearest known ligand 0.42

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 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DYRK1A Q13627 1/20 0.39
ALDH1A1 P00352 3/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
KMO O15229 3/20 0.38
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.37
P2RX3 P56373 3/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL7412394 0.99 SRC (0.43) SRCKDM4EPOLBHSD17B10L3MBTL1
Water SCHEMBL7408556 0.97 SRC (0.42) SRCKDM4EPOLBHSD17B10L3MBTL1
Ethylamine SCHEMBL7408665 0.94 SRC (0.43) SRCKDM4EPOLBHSD17B10L3MBTL1
SCHEMBL10968820 0.90 FABP4 (0.43) SRCKDM4EPOLBL3MBTL1DYRK1A
SCHEMBL7407905 0.88 KMO (0.39) SRCKDM4EPOLBHSD17B10L3MBTL1
SCHEMBL7412064 0.86 KDM4E (0.37) SRCKDM4EPOLBHSD17B10L3MBTL1
Potassium Ion SCHEMBL7415696 0.85 SRC (0.38) SRCKDM4EPOLBHSD17B10L3MBTL1
Potassium Ion SCHEMBL7409882 0.85 SRC (0.38) SRCKDM4EPOLBHSD17B10L3MBTL1
Bromide SCHEMBL10739102 0.84 SRC (0.43) SRCKDM4EPOLBHSD17B10L3MBTL1
SCHEMBL10621799 0.83 TNF (0.47) SRCKDM4EPOLBL3MBTL1ALDH1A1

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
US-4645836-A Process for the preparation of 6,7-dihydroxy-4-alkyl-2(1H) quinazolinone-1-propionic acids ORTHO PHARMACEUTICAL CORPORATION (US) 1987-02-24 US disclosed