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Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL28599228

Br.Br.NC(=O)c1cc(OCCCN2CCOCC2)c2[nH]c(N)nc2c1.NC(=O)c1cc(OCCCN2CCOCC2)c2[nH]c(N)nc2c1

nearest known ligand 0.49

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 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1A known ✓ P08908 1/20 0.39
▸ STING1 Q86WV6 13/20 0.49
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ INSR P06213 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ CAMKK2 Q96RR4 1/20 0.39

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
SCHEMBL22150413 0.99 STING1 (0.49) STING1KDM4EGAAPKMUSP2
SCHEMBL30182113 0.82 STING1 (0.49) STING1KDM4EGAAPKMUSP2
SCHEMBL20075498 0.80 STING1 (0.56) STING1KDM4EUSP2TDP1
SCHEMBL23234059 0.79 HTR1A (0.44) STING1KDM4EGAAPKMUSP2
Bromide SCHEMBL29619902 0.77 STING1 (0.67) STING1
SCHEMBL28522082 0.77 STING1 (0.56) STING1KDM4EGAAPKMUSP2
Bromide SCHEMBL23327843 0.77 STING1 (0.67) STING1
SCHEMBL30412798 0.76 STING1 (0.65) STING1
SCHEMBL22135066 0.76 STING1 (0.57) STING1USP2
SCHEMBL19436532 0.76 STING1 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549110-A Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-10-26 — — CN disclosed
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