SCHEMBL2641936

SCHEMBL2641936

O=C(O)NCc1ccc(/C=C/c2cccnc2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL2641942 1.00 SNCA (0.43) SNCAHTTMAPTALDH1A1ATM
SCHEMBL2641850 0.81 HDAC6 (0.46) SNCAKMT2AHDAC3HDAC4HDAC1
SCHEMBL2641808 0.81 HDAC6 (0.46) SNCAMAPTALDH1A1KMT2ALMNA
SCHEMBL2641812 0.81 HDAC6 (0.46) SNCAMAPTALDH1A1KMT2ALMNA
SCHEMBL2641950 0.81 HDAC6 (0.44) SNCAKMT2AHDAC3HDAC4HDAC1
SCHEMBL2641879 0.81 HDAC6 (0.44) SNCAMAPTALDH1A1KMT2ALMNA
SCHEMBL2641957 0.81 HDAC6 (0.44) SNCAKMT2AHDAC3HDAC4HDAC1
SCHEMBL2641855 0.81 HDAC6 (0.46) SNCAKMT2AHDAC3HDAC4HDAC1
SCHEMBL2641875 0.81 HDAC6 (0.44) SNCAMAPTALDH1A1KMT2ALMNA
SCHEMBL8561733 0.79 TAAR1 (0.47) SNCAMAPTALDH1A1KMT2AKDM4E

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