Bromide

Bromide

SCHEMBL9872550

Br.C[C@H]1COc2c(C3CC3N)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.66

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 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
KMT2A Q03164 1/20 0.66
AADAT Q8N5Z0 2/20 0.64
TOP2A P11388 6/20 0.62
TOP2B Q02880 6/20 0.62
ALDH1A1 P00352 4/20 0.62
HPGD P15428 3/20 0.62
HSD17B10 Q99714 2/20 0.62
ALB P02768 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
TUBB4A P04350 1/20 0.61
POLB P06746 1/20 0.61
TUBB P07437 1/20 0.61
TUBA3C P0DPH7 1/20 0.61
TUBA1B P68363 1/20 0.61
TUBA4A P68366 1/20 0.61
TUBB4B P68371 1/20 0.61
TUBB3 Q13509 1/20 0.61
TUBB2A Q13885 1/20 0.61
TUBB8 Q3ZCM7 1/20 0.61

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
SCHEMBL9872786 0.89 KDM4E (0.64) KDM4EKMT2AAADATTOP2ATOP2B
SCHEMBL9874554 0.86 KDM4E (0.67) KDM4EKMT2AAADATTOP2ATOP2B
SCHEMBL10578766 0.86 KDM4E (0.62) KDM4EKMT2AAADATTOP2ATOP2B
SCHEMBL10577413 0.85 KDM4E (0.65) KDM4EKMT2AAADATTOP2ATOP2B
SCHEMBL9748666 0.84 KDM4E (0.56) KDM4EKMT2AAADATTOP2ATOP2B
SCHEMBL9748689 0.84 KDM4E (0.56) KDM4EKMT2AAADATTOP2ATOP2B
SCHEMBL25430297 0.83 KDM4E (0.73) KDM4EKMT2AAADATTOP2ATOP2B
SCHEMBL31256899 0.83 KDM4E (0.73) KDM4EKMT2AAADATTOP2ATOP2B
SCHEMBL9304083 0.83 KDM4E (0.73) KDM4EKMT2AAADATTOP2ATOP2B
SCHEMBL9873849 0.83 KDM4E (0.57) KDM4EKMT2AAADATTOP2ATOP2B

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-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 US disclosed