SCHEMBL8902254

SCHEMBL8902254

OCCn1ccc2cc(-c3cccs3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.40
▸ NOS1 P29475 3/20 0.40
▸ NOS2 P35228 3/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MET P08581 2/20 0.39
▸ PGR P06401 1/20 0.39
▸ GLO1 Q04760 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ GRIN2B Q13224 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ PLG P00747 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ CHEK1 O14757 1/20 0.37

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
SCHEMBL20605075 0.74 MET (0.48) METGLO1PLGPLAU
SCHEMBL7256762 0.72 HTR1D (0.64) NOS3NOS1NOS2
SCHEMBL7258177 0.70 NOS3 (0.58) NOS3NOS1NOS2
SCHEMBL3865465 0.70 LTA4H (0.40) NR4A2KCNH2PGRERN1LTA4H
SCHEMBL25310410 0.69 HTR2C (0.55) PLGPLAU
SCHEMBL11622820 0.69 HTR2A (0.57) HSD17B10PLGPLAU
SCHEMBL31561786 0.69 HTR2C (0.55) PLGPLAU
SCHEMBL13836419 0.69 PRKCI (0.55) PLGPLAU
SCHEMBL256348 0.69 PLG (0.44) PLGPLAU
SCHEMBL27382854 0.69 PLAU (0.47) PLGPLAU

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-1997043281-A1 THIOPHENE- AND FURAN-TRYPTAMINE DERIVATIVES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-11-20 — — WO disclosed
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