SCHEMBL10762714

SCHEMBL10762714

COc1cc(C=Cc2ccc(=O)[nH]n2)cc(OC)c1SC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ PTGS2 P35354 5/20 0.56
▸ PTGS1 P23219 3/20 0.56
▸ KDM4E B2RXH2 4/20 0.52
▸ POLB P06746 4/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MAPT P10636 3/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ ALOX5 P09917 2/20 0.43
▸ APP P05067 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ STAT3 P40763 1/20 0.43

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
SCHEMBL10762705 1.00 LMNA (0.59) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10764067 0.85 LMNA (0.54) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10764071 0.85 LMNA (0.54) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10761840 0.85 LMNA (0.63) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL8966189 0.85 LMNA (0.63) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10762100 0.85 LMNA (0.60) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10762094 0.85 LMNA (0.60) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10761091 0.83 PTGS2 (0.58) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10761096 0.83 PTGS2 (0.58) LMNANPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL10764099 0.82 LMNA (0.68) 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
Send feedback