SCHEMBL10762602

SCHEMBL10762602

COc1cc(C=CC2=NNC(=O)CC2)c(OC)c(OC)c1SC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.58
▸ PTGS1 P23219 5/20 0.58
▸ LMNA P02545 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PDE4B Q07343 3/20 0.41
▸ PDE3B Q13370 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CYP1A1 P04798 2/20 0.32
▸ CYP1B1 Q16678 2/20 0.32

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
SCHEMBL10765198 0.83 LMNA (0.59) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10765787 0.81 PTGS2 (0.60) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10762860 0.81 PTGS2 (0.57) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10760881 0.80 PTGS2 (0.73) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10762879 0.80 PTGS2 (0.56) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10765392 0.79 PDE3A (0.41) PTGS2PTGS1SMN1; SMN2PDE4BPDE3B
SCHEMBL10760786 0.78 PTGS2 (0.66) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10763911 0.78 PTGS2 (0.66) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10766056 0.77 LMNA (0.54) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL8965509 0.76 LMNA (0.63) PTGS2PTGS1LMNARAB9ASMN1; SMN2

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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