Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL28617199

Br.COc1cc(C(N)=O)cc2nc(N)n(C/C=C/Cn3c(N)nc4cc(C(N)=O)cc(OCc5ccccc5)c43)c12

nearest known ligand 0.52

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 6)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 14/20 0.49
▸ CSF1R P07333 1/20 0.46
▸ SMPD1 P17405 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43

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 SCHEMBL19436508 1.00 STING1 (0.49) STING1CSF1RSMPD1HDAC1HDAC8
Bromide SCHEMBL28617201 1.00 STING1 (0.49) STING1CSF1RSMPD1HDAC1HDAC8
SCHEMBL26764205 0.91 CSF1R (0.47) STING1CSF1R
SCHEMBL22121334 0.87 STING1 (0.50) STING1
SCHEMBL28919114 0.84 STING1 (0.47) STING1
SCHEMBL19436570 0.84 STING1 (0.47) STING1
SCHEMBL22121390 0.83 STING1 (0.57) STING1
SCHEMBL29868209 0.83 STING1 (0.49) STING1
SCHEMBL29868591 0.83 STING1 (0.49) STING1
SCHEMBL22121384 0.82 STING1 (0.63) STING1

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
CN-109608443-B Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-09-07 — — CN disclosed
CN-109071514-B Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-07-06 — — CN disclosed
Send feedback