SCHEMBL10764071

SCHEMBL10764071

COc1cc(C=Cc2ccc(=O)[nH]n2)cc(SC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ PTGS2 P35354 3/20 0.52
▸ PTGS1 P23219 2/20 0.52
▸ KDM4E B2RXH2 4/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TUBB4A P04350 4/20 0.45
▸ TUBB P07437 4/20 0.45
▸ TUBA3C P0DPH7 4/20 0.45
▸ TUBA1B P68363 4/20 0.45
▸ TUBA4A P68366 4/20 0.45
▸ TUBB4B P68371 4/20 0.45
▸ TUBB3 Q13509 4/20 0.45
▸ TUBB2A Q13885 4/20 0.45

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
SCHEMBL10764067 1.00 LMNA (0.54) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL8966189 0.89 LMNA (0.63) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10761840 0.89 LMNA (0.63) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10762100 0.85 LMNA (0.60) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10766353 0.85 LMNA (0.60) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10766356 0.85 LMNA (0.60) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10762094 0.85 LMNA (0.60) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10762705 0.85 LMNA (0.59) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10762714 0.85 LMNA (0.59) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10763622 0.81 LMNA (0.54) LMNANPC1RAB9ASMN1; SMN2PTGS2

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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