SCHEMBL8199608

SCHEMBL8199608

OCc1[nH]c(S)nc1Cc1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
HTR1D P28221 1/20 0.36
TYMP P19971 2/20 0.34
LTB4R Q15722 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
EPHX2 P34913 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7957829 0.83 LMNA (0.38) TYMPLMNA
SCHEMBL6949843 0.83 LTB4R (0.50) LTB4RALDH1A1HPGDTSHRKMT2A
SCHEMBL6946482 0.81 PARP1 (0.41) TAAR1HPGDTSHR
SCHEMBL6949338 0.80 HRH3 (0.41) HRH3TYMPMEN1KMT2A
SCHEMBL12002490 0.67 HDAC8 (0.46) HRH3HTR1DEPHX2TAAR1TSHR
SCHEMBL11376007 0.67 LTA4H (0.46) LTB4RALDH1A1APOBEC3GLMNAMEN1
SCHEMBL11281110 0.66 HRH3 (0.39) HRH3HTR1DALDH1A1APOBEC3GEPHX2
SCHEMBL104349 0.64
SCHEMBL3334615 0.63 CYP2A6 (0.57) HRH3HTR1DALDH1A1EPHX2TAAR1
SCHEMBL8124411 0.63 HRH3 (0.44) HRH3HTR1DTYMPEPHX2TAAR1

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
WO-2000001674-A1 PROCESS FOR MAKING 1,5-DISUBSTITUTED IMIDAZOLES MERCK & CO., INC. (US) 2000-01-13 WO disclosed