SCHEMBL10763589

SCHEMBL10763589

C[S+]([O-])c1ccc(C=CC2=NNC(=O)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.63
▸ SMN1; SMN2 Q16637 8/20 0.63
▸ LMNA P02545 4/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ NPC1 O15118 5/20 0.59
▸ MAPT P10636 4/20 0.59
▸ PKM P14618 3/20 0.59
▸ POLB P06746 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ PTGS1 P23219 3/20 0.54
▸ PTGS2 P35354 3/20 0.54
▸ PDE3B Q13370 2/20 0.52
▸ PDE3A Q14432 2/20 0.52
▸ MAOB P27338 3/20 0.35
▸ RECQL P46063 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 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
SCHEMBL10764523 0.84 PTGS1 (0.67) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10764341 0.81 RAB9A (0.53) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10761210 0.81 RAB9A (0.53) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10765022 0.80 PTGS2 (0.54) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10763947 0.79 RAB9A (0.68) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10762731 0.79 RAB9A (0.64) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10766806 0.79 RAB9A (0.60) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10764503 0.79 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10762143 0.78 PTGS2 (0.63) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10759679 0.78 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1

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