SCHEMBL21456972

SCHEMBL21456972

CCc1c(/C=C/c2ccc(C(=O)OC)cc2)c(=O)oc2cc(N(C)C)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PTPN1 P18031 1/20 0.40
MAOA P21397 2/20 0.39
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
GLA P06280 2/20 0.38
ATM Q13315 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL21456999 1.00 MEN1 (0.41) MEN1KMT2APTPN1MAOAKDM4E
SCHEMBL21457077 0.90 ALDH1A1 (0.41) MEN1KMT2APTPN1KDM4EALDH1A1
SCHEMBL21457093 0.90 ALDH1A1 (0.41) MEN1KMT2APTPN1KDM4EALDH1A1
SCHEMBL21457072 0.89 SLC16A3 (0.42) MEN1KMT2AMAOAKDM4EALDH1A1
SCHEMBL21457045 0.89 SLC16A3 (0.42) MEN1KMT2AMAOAKDM4EALDH1A1
SCHEMBL21457060 0.88 ALDH1A1 (0.41) MEN1KMT2APTPN1KDM4EALDH1A1
SCHEMBL21456989 0.88 ALDH1A1 (0.41) MEN1KMT2APTPN1KDM4EALDH1A1
SCHEMBL21457017 0.87 KMT2A (0.42) MEN1KMT2APTPN1MAOAKDM4E
SCHEMBL21457100 0.87 KMT2A (0.42) MEN1KMT2APTPN1MAOAKDM4E
SCHEMBL21485404 0.85 ESR1 (0.46) MEN1KMT2AKDM4EMAPTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553054-B1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF UNIV EVORA (PT) 2023-01-11 EP disclosed
EP-3553054-B1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF UNIV EVORA (PT) 2023-01-11 EP disclosed
EP-3553054-A1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF Universidade de Évora (PT) 2019-10-16 EP disclosed
EP-3553054-A1 FLUORESCENT COUMARIN COMPOUNDS AND METHOD OF SYNTHESIS THEREOF Universidade de Évora (PT) 2019-10-16 EP disclosed