SCHEMBL10765632

SCHEMBL10765632

COc1cc(SC)ccc1/C=C/c1ccc(=O)[nH]n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.64
▸ PTGS2 P35354 2/20 0.64
▸ LMNA P02545 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP1A2 P05177 11/20 0.46
▸ CYP1A1 P04798 10/20 0.46
▸ CYP1B1 Q16678 10/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ MAPT P10636 1/20 0.36
▸ GCK P35557 1/20 0.35

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
SCHEMBL10765636 1.00 PTGS1 (0.64) PTGS1PTGS2LMNANPC1RAB9A
SCHEMBL10764323 0.90 PTGS1 (0.64) PTGS1PTGS2LMNANPC1RAB9A
SCHEMBL10764321 0.90 PTGS1 (0.64) PTGS1PTGS2LMNANPC1RAB9A
SCHEMBL10761931 0.83 PTGS1 (0.69) PTGS1PTGS2LMNANPC1RAB9A
SCHEMBL10761927 0.83 PTGS1 (0.69) PTGS1PTGS2LMNANPC1RAB9A
SCHEMBL10760245 0.82 PTGS2 (0.61) PTGS1PTGS2LMNANPC1RAB9A
SCHEMBL10760249 0.82 PTGS2 (0.61) PTGS1PTGS2LMNANPC1RAB9A
SCHEMBL10767194 0.81 CYP1A1 (0.44) PTGS1PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL10767196 0.81 CYP1A1 (0.44) PTGS1PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL10760555 0.79 PTGS1 (0.63) PTGS1PTGS2LMNANPC1RAB9A

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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