SCHEMBL10765703

SCHEMBL10765703

COc1ccc(S(C)(=O)=O)cc1/C=C/c1ccc(=O)[nH]n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.63
▸ PTGS2 P35354 2/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ LMNA P02545 4/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ CYP1A2 P05177 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ PDE4A P27815 3/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ AKR1B1 P15121 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 2/20 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
SCHEMBL10765707 1.00 PTGS1 (0.63) PTGS1PTGS2SMN1; SMN2LMNANPC1
SCHEMBL10760555 0.90 PTGS1 (0.63) PTGS1PTGS2SMN1; SMN2LMNANPC1
SCHEMBL10760552 0.90 PTGS1 (0.63) PTGS1PTGS2SMN1; SMN2LMNANPC1
SCHEMBL10765057 0.83 PTGS2 (0.60) PTGS1PTGS2SMN1; SMN2LMNANPC1
SCHEMBL10765063 0.83 PTGS2 (0.60) PTGS1PTGS2SMN1; SMN2LMNANPC1
SCHEMBL10761034 0.80 PTGS1 (0.62) PTGS1PTGS2SMN1; SMN2LMNANPC1
SCHEMBL10761028 0.80 PTGS1 (0.62) PTGS1PTGS2SMN1; SMN2LMNANPC1
SCHEMBL10764321 0.79 PTGS1 (0.64) PTGS1PTGS2SMN1; SMN2LMNANPC1
SCHEMBL10764323 0.79 PTGS1 (0.64) PTGS1PTGS2SMN1; SMN2LMNANPC1
SCHEMBL10760692 0.79 PTGS2 (0.57) PTGS1PTGS2SMN1; SMN2LMNANPC1

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
EP-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP disclosed
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