SCHEMBL13611413

SCHEMBL13611413

Cc1nc(Cc2ccc(Br)cc2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
HTR1D P28221 1/20 0.38
EPHX2 P34913 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TYMP P19971 1/20 0.35
ALDH1A1 P00352 2/20 0.34
APOBEC3G Q9HC16 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
PYCR1 P32322 1/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL10795179 0.85 ALDH1A1 (0.46) HTTKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL3840210 0.82 HSP90AB1 (0.45) KMT2ATDP1L3MBTL1LMNANPC1
SCHEMBL16020932 0.82 MAPT (0.38) TAAR1HTTTYMPALDH1A1LMNA
SCHEMBL82538 0.81 TAAR1 (0.43) HRH3TAAR1MEN1KMT2ATDP1
Water SCHEMBL10981448 0.80 TAAR1 (0.42) HRH3TAAR1TDP1L3MBTL1ALDH1A1
SCHEMBL13611378 0.79 LTA4H (0.46) TDP1L3MBTL1ALDH1A1LMNANPC1
SCHEMBL13604291 0.79 HRH3 (0.40) HRH3HTR1DEPHX2TAAR1HTT
Fluoride SCHEMBL28059937 0.79 TAAR1 (0.41) HRH3TAAR1MEN1KMT2ATDP1
SCHEMBL13604221 0.79 HRH3 (0.42) HRH3HTR1DEPHX2TAAR1ALDH1A1
SCHEMBL13611375 0.78 CYP17A1 (0.43) ALDH1A1LMNANPC1MAPTRAB9A

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-7625921-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed