SCHEMBL7477619

SCHEMBL7477619

CC(C(=O)O)c1cccn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.45
MAOB P27338 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
PTGS1 P23219 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL27619771 0.88 MAOB (0.41) PTGS2MAOBSMN1; SMN2NPC1PKM
SCHEMBL23053214 0.79 LMNA (0.45) MAOBSMN1; SMN2NPC1PKMNFKB1
SCHEMBL3904573 0.78 LMNA (0.46) MAOBSMN1; SMN2NPC1MAPTLMNA
SCHEMBL5243540 0.78 MAOB (0.40) MAOBSMN1; SMN2NPC1PKMNFKB1
SCHEMBL17599975 0.76 TRIM24 (0.40) MAOBTSHRMEN1KMT2ATRIM24
SCHEMBL2325762 0.76
SCHEMBL732708 0.75
SCHEMBL7379152 0.75 MAOB (0.41) MAOBSMN1; SMN2NPC1PKMNFKB1
SCHEMBL14292421 0.73 ACACB (0.42) MAOBSMN1; SMN2NPC1PKMNFKB1
SCHEMBL28996324 0.72 MEN1 (0.41) MAOBSMN1; SMN2NPC1PKMNFKB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112661688-B Synthetic method of non-steroidal anti-inflammatory drug tolmetin 杭州迪克科技有限公司 2023-04-07 CN disclosed
CN-112661688-A Synthetic method of non-steroidal anti-inflammatory drug tolmetin 杭州迪克科技有限公司 2021-04-16 CN disclosed
EP-0800390-B1 CYCLOPROPYLPYRROLOINDOLE-OLIGOPEPTIDE ANTICANCER AGENTS UNIV ALBERTA (CA) 2002-12-04 EP disclosed
EP-0800390-A4 CYCLOPROPYLPYRROLOINDOLE-OLIGOPEPTIDE ANTICANCER AGENTS SYNPHAR LAB INC (CA) 1999-01-20 EP disclosed
EP-0800390-A1 CYCLOPROPYLPYRROLOINDOLE-OLIGOPEPTIDE ANTICANCER AGENTS SYNPHAR LABORATORIES INC. (CA) 1997-10-15 EP disclosed
WO-1996023497-A1 CYCLOPROPYLPYRROLOINDOLE-OLIGOPEPTIDE ANTICANCER AGENTS SYNPHAR LABORATORIES, INC. (CA) 1996-08-08 WO disclosed
US-5502068-A ABILITY TO ALKYLATE DNA SEQUENCES SYNPHAR LABORATORIES, INC. (CA) 1996-03-26 US disclosed