SCHEMBL2641896

SCHEMBL2641896

CN(C(=O)O)c1ccc(/C=C/c2cccc(F)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GRM4 Q14833 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GRM5 P41594 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL2641861 0.84 RAB9A (0.41) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL2641930 0.84 RAB9A (0.41) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL2641792 0.84 EGFR (0.43) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL12186247 0.84 PAX8 (0.45) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL12185950 0.83 MAPT (0.57) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL2641783 0.80 MAPT (0.43) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL4322838 0.79 KMT2A (0.58) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL4322834 0.79 KMT2A (0.58) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL2641914 0.76 APP (0.40) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL2641772 0.74 NR3C1 (0.41) RAB9AKDM4EMEN1KMT2AALDH1A1

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-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed