SCHEMBL29905760

SCHEMBL29905760

C(=C/c1ccnc(-c2cc(/C=C/c3ccccc3)ccn2)c1)\c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HDAC6 Q9UBN7 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 2/20 0.49
GRM4 Q14833 3/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
NFE2L2 Q16236 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
RELA Q04206 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL2319434 1.00 KDM1A (0.53) KDM1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL7967117 1.00 KDM1A (0.53) KDM1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL29523090 1.00 KDM1A (0.53) KDM1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL28195927 0.90 ASIC3 (0.53) KDM1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL9564513 0.89 CCR1 (0.59) KDM1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL31705885 0.84 MAPT (0.52) KDM1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL16749603 0.84 MAPT (0.52) KDM1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL18112564 0.84 MAPT (0.52) KDM1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL5532492 0.84 KDM1A (0.48) KDM1AMEN1KMT2AKDM4EALDH1A1
SCHEMBL5532497 0.84 KDM1A (0.48) KDM1AMEN1KMT2AKDM4EALDH1A1

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
EP-4054717-A1 METAL COMPLEXES BEARING BISSTYRYL-BIPYRIDINE LIGAND AND THEIR USE AS PHOTOSENSITIZER AGENT IN ONE AND TWO-PHOTON PHOTODYNAMIC THERAPY Paris Sciences et Lettres (FR) 2022-09-14 EP disclosed
EP-4054717-A1 METAL COMPLEXES BEARING BISSTYRYL-BIPYRIDINE LIGAND AND THEIR USE AS PHOTOSENSITIZER AGENT IN ONE AND TWO-PHOTON PHOTODYNAMIC THERAPY Paris Sciences et Lettres (FR) 2022-09-14 EP disclosed