SCHEMBL5362181

SCHEMBL5362181

Cc1cccc2c1cc(C=CC(=O)OC(C)(C)C)n2Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
F10 P00742 5/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
PLA2G2A P14555 2/20 0.39
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
BRD4 O60885 1/20 0.38
ATM Q13315 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
CCR2 P41597 1/20 0.38
LMNA P02545 1/20 0.37
F2 P00734 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1H4 Q96RI1 1/20 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
SCHEMBL5362177 1.00 MEN1 (0.42) MEN1KMT2AF10ALDH1A1MAPT
SCHEMBL5359096 0.84 CCR2 (0.49) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL5363418 0.84 CCR2 (0.49) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL5427985 0.79 CCR2 (0.43) MAPTBRD4CCR2
SCHEMBL5427991 0.79 CCR2 (0.43) MAPTBRD4CCR2
SCHEMBL5354456 0.79 ALDH1A1 (0.41) KMT2AALDH1A1MAPTKDM4EPLA2G2A
SCHEMBL5354451 0.79 ALDH1A1 (0.41) KMT2AALDH1A1MAPTKDM4EPLA2G2A
SCHEMBL5358101 0.77 FDPS (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5358104 0.77 FDPS (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5350992 0.76 MAPT (0.43) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E

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
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 WO disclosed