Bromide

Bromide

SCHEMBL9080240

COC(=O)C[n+]1ccccc1.[Br-]

nearest known ligand 0.53

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 16)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.39
KMT2A Q03164 3/20 0.53
HSP90AA1 P07900 2/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
APOBEC3A P31941 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
PABPC1 P11940 1/20 0.38

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
SCHEMBL12534300 0.98 KMT2A (0.50) KMT2AHSP90AA1POLBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5848674 0.96 HSP90AA1 (0.50) KMT2AHSP90AA1POLBALDH1A1SMN1; SMN2
SCHEMBL19037381 0.79 KMT2A (0.48) KMT2AHSP90AA1POLBALDH1A1SMN1; SMN2
Bromide SCHEMBL344154 0.79 KMT2A (0.50) KMT2AHSP90AA1ALDH1A1KDM4EMEN1
Bromide SCHEMBL18549649 0.78 KMT2A (0.58) KMT2AHSP90AA1POLBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL19031290 0.77 KMT2A (0.47) KMT2AHSP90AA1POLBALDH1A1SMN1; SMN2
SCHEMBL21665861 0.77 KMT2A (0.47) KMT2AHSP90AA1POLBALDH1A1SMN1; SMN2
SCHEMBL4232151 0.77 KMT2A (0.47) KMT2AHSP90AA1POLBALDH1A1SMN1; SMN2
SCHEMBL8971406 0.77 TSHR (0.48) KMT2AHSP90AA1ALDH1A1KDM4EHTT
Bromide SCHEMBL344334 0.76 HSP90AA1 (0.49) KMT2AHSP90AA1ALDH1A1SMN1; SMN2KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356898-B1 Silver halide photographic materials containing aryl hydrazides DU PONT DEUTSCHLAND (DE) 1996-11-27 EP disclosed
US-5130480-A In silver halide elements; images with ultrahigh contrast; reprography, photo typesetting, photomasks E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-14 US disclosed
US-5013844-A Photographic emulsions, high contrast E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-07 US disclosed
US-4937160-A High contrast E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-06-26 US disclosed
EP-0356898-A2 Silver halide photographic materials containing aryl hydrazides DU PONT DE NEMOURS (DEUTSCHLAND) GMBH (DE) 1990-03-07 EP disclosed