SCHEMBL24414101

SCHEMBL24414101

Nc1cc(C(=O)OCc2ccccc2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46
POLB P06746 2/20 0.46
MMP13 P45452 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL23361722 0.82 POLB (0.52) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL20305869 0.82 POLB (0.52) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL24414106 0.79 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL24414080 0.78 TDP1 (0.49) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL3352990 0.78 POLB (0.57) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL24414079 0.77 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL24359767 0.77 TDP1 (0.44) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL12486679 0.77 TDP1 (0.58) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL13472450 0.76 ALDH1A1 (0.47) KMT2AALDH1A1LMNAKDM4EMAPT
SCHEMBL8129165 0.76 POLB (0.51) ALDH1A1LMNAMAPTMAOBPOLB

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-2022096869-A1 ORGANIC COMPOUNDS FOR USE IN ELECTROLUMINESCENT DEVICES UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2022-05-12 WO disclosed