SCHEMBL21037336

SCHEMBL21037336

COCCNC(=O)C(C#N)Cc1ccc(-c2ccc(N(C)CCO)s2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
GAA P10253 3/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
PBK Q96KB5 1/20 0.32
HPGD P15428 5/20 0.31
RAB9A P51151 4/20 0.31
ALDH1A1 P00352 4/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
NPC1 O15118 3/20 0.31
HTT P42858 2/20 0.31
MAPK1 P28482 2/20 0.31
TP53 P04637 3/20 0.31
LMNA P02545 5/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL21160438 0.74 ALDH1A1 (0.49) KDM4EKMT2AMEN1GAAHPGD
SCHEMBL24991914 0.61 PBK (0.35) HSD17B10PBKALDH1A1NPC1MAPK1
SCHEMBL21036835 0.61 LMNA (0.50) KDM4EKMT2AMEN1GAAHPGD
SCHEMBL21160414 0.61 MAPT (0.52) KDM4EKMT2AMEN1HPGDRAB9A
SCHEMBL18473777 0.60 ALDH1A1 (0.38) KDM4EKMT2AMEN1CASP1HPGD
SCHEMBL21037038 0.60 KMT2A (0.48) KDM4EKMT2AMEN1GAAHPGD
SCHEMBL21036842 0.60 DPP4 (0.41) KDM4EKMT2AMEN1GAAPBK
SCHEMBL24992381 0.60 KDM4E (0.34) KDM4EALDH1A1POLB
SCHEMBL21036841 0.59 KMT2A (0.41) KDM4EKMT2AMEN1HPGDRAB9A
SCHEMBL21036840 0.58 DPP4 (0.49) KDM4EKMT2AMEN1GAACASP1

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
EP-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 EP disclosed