SCHEMBL6821892

SCHEMBL6821892

Brc1ccc(Cc2nccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
FBP1 P09467 1/20 0.43
EPHX2 P34913 1/20 0.42
HTR1D P28221 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.39
MGAM O43451 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
IDO1 P14902 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36

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
SCHEMBL27855068 0.81 CYP2C19 (0.50) LTA4HFBP1NPC1RAB9AADRB2
SCHEMBL27468396 0.81 NR1H3 (0.51) LTA4HFBP1MEN1NPC1KMT2A
SCHEMBL2973461 0.81 LTA4H (0.49) LTA4HFBP1MEN1NPC1RAB9A
SCHEMBL378027 0.80 PDPK1 (0.50) LTA4HNR1H3
SCHEMBL6163997 0.80 CYP17A1 (0.50) LTA4HADRB2LOXL2HRH3CYP17A1
SCHEMBL5533749 0.79 LOXL2 (0.62) LTA4HADRB2LOXL2ABL1BCR
SCHEMBL7617248 0.78 PDPK1 (0.48) LTA4HNR1H3
Hydrochloric Acid SCHEMBL3930720 0.78 PDPK1 (0.48) LTA4HNR1H3
SCHEMBL12419334 0.77 LTA4H (0.46) LTA4HADRB2GAALOXL2CYP17A1
SCHEMBL558329 0.77 LTA4H (0.56) LTA4HFBP1MEN1NPC1RAB9A

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-2004046141-A1 NEW TRICYCLIC ANGIOTENSIN II AGONISTS VICORE PHARMA AB (SE) 2004-06-03 WO disclosed