SCHEMBL28670259

SCHEMBL28670259

Cc1cn(OC=O)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
IMPDH2 P12268 1/20 0.42
NQO2 P16083 1/20 0.42
HTR6 P50406 1/20 0.41
SLC6A2 P23975 1/20 0.39
FABP4 P15090 1/20 0.38
UBE2N P61088 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
POLB P06746 1/20 0.36
BRD4 O60885 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL788705 0.78 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4EIMPDH2
Hydrochloric Acid SCHEMBL3247223 0.76 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4EIMPDH2
SCHEMBL27559450 0.76 MEN1 (0.51) MEN1KMT2AKDM4ENQO2HTR6
SCHEMBL27818053 0.76 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4EIMPDH2
SCHEMBL349606 0.74 KDM4E (0.43) MEN1KMT2AALDH1A1KDM4EIMPDH2
SCHEMBL8089258 0.74 MEN1 (0.50) MEN1KMT2AKDM4ENQO2HTR6
SCHEMBL24878156 0.73 HTR6 (0.57) HTR6
SCHEMBL28055441 0.72 MEN1 (0.44) MEN1KMT2AKDM4ENQO2HTR6
SCHEMBL18199182 0.72 SLC6A2 (0.41) MEN1KMT2AALDH1A1KDM4EIMPDH2
SCHEMBL8527697 0.72 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4EIMPDH2

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
CN-110143911-B Preparation method of N- (indole-N-formyl) -alpha-amino amide derivative 浙江大学 2021-12-17 CN claimed
CN-110143911-B Preparation method of N- (indole-N-formyl) -alpha-amino amide derivative 浙江大学 2021-12-17 CN disclosed