SCHEMBL28824630

SCHEMBL28824630

c1nc2c(ccc3snnc32)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
DPP4 P27487 2/20 0.34
PARP1 P09874 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PRNP P04156 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP8 Q6V1X1 1/20 0.31
EGFR P00533 1/20 0.31
MMP12 P39900 1/20 0.30

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
SCHEMBL8627138 0.72 LMNA (0.39) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL12446804 0.63 LMNA (0.53) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL9374144 0.62 LMNA (0.64) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL31415039 0.60 MAPT (0.33) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9534322 0.60 TDO2 (0.31)
SCHEMBL1193116 0.60 LMNA (0.42) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL3855175 0.60 MEN1 (0.42) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL15893400 0.60 ALDH1A1 (0.42) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL19229113 0.59
SCHEMBL8874949 0.59 AURKA (0.35)

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
CN-113663731-B Preparation method and application of FL @ MOF composite photocatalyst 西北大学 2022-08-26 CN claimed