SCHEMBL2641792

SCHEMBL2641792

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GRM4 Q14833 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GRM5 P41594 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

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) EGFRMEN1KMT2AALDH1A1RAB9A
SCHEMBL2641930 0.84 RAB9A (0.41) EGFRMEN1KMT2AALDH1A1RAB9A
SCHEMBL2641896 0.84 RAB9A (0.41) EGFRMEN1KMT2AALDH1A1RAB9A
SCHEMBL12186028 0.83 PAX8 (0.44) EGFRMEN1KMT2AALDH1A1RAB9A
SCHEMBL2641922 0.83 MAPT (0.57) EGFRMEN1KMT2AALDH1A1RAB9A
SCHEMBL2641926 0.83 MAPT (0.57) EGFRMEN1KMT2AALDH1A1RAB9A
SCHEMBL2641783 0.80 MAPT (0.43) EGFRMEN1KMT2AALDH1A1RAB9A
SCHEMBL2641829 0.76 APP (0.40) EGFRMEN1KMT2AALDH1A1RAB9A
SCHEMBL4542158 0.76 GRM4 (0.61) MEN1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL4542155 0.76 GRM4 (0.61) MEN1KMT2AALDH1A1RAB9AKDM4E

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