SCHEMBL10762040

SCHEMBL10762040

Nc1cccc(C=CC2=NNC(=O)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.71
▸ PTGS2 P35354 3/20 0.71
▸ LMNA P02545 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NPC1 O15118 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ CYP19A1 P11511 4/20 0.47
▸ MAOB P27338 4/20 0.47
▸ MAOA P21397 1/20 0.47
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ GFER P55789 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM1A O60341 1/20 0.40

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
SCHEMBL10762053 0.83 PTGS1 (0.71) PTGS1PTGS2LMNARAB9ASMN1; SMN2
SCHEMBL10762033 0.83 PTGS1 (0.71) PTGS1PTGS2LMNARAB9ASMN1; SMN2
SCHEMBL10763427 0.83 PTGS1 (0.71) PTGS1PTGS2LMNARAB9ASMN1; SMN2
SCHEMBL10761784 0.82 SMN1; SMN2 (0.71) PTGS1PTGS2LMNARAB9ASMN1; SMN2
SCHEMBL10765385 0.80 PTGS1 (0.66) PTGS1PTGS2LMNARAB9ASMN1; SMN2
SCHEMBL10762432 0.80 PTGS1 (0.70) PTGS1PTGS2LMNARAB9ASMN1; SMN2
SCHEMBL10766339 0.80 LMNA (0.71) PTGS1PTGS2LMNARAB9ASMN1; SMN2
SCHEMBL10762077 0.79 PTGS1 (0.68) PTGS1PTGS2LMNARAB9ASMN1; SMN2
SCHEMBL10764523 0.78 PTGS1 (0.67) PTGS1PTGS2LMNARAB9ASMN1; SMN2
SCHEMBL10996605 0.75 PTGS1 (1.00) PTGS1PTGS2LMNARAB9ASMN1; 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
Send feedback