SCHEMBL29905764

SCHEMBL29905764

COc1cccc(/C=C/c2ccnc(-c3cc(/C=C/c4cccc(OC)c4)ccn3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.62
NFE2L2 Q16236 4/20 0.58
CYP19A1 P11511 1/20 0.57
NQO2 P16083 1/20 0.57
CCR1 P32246 1/20 0.56
CCR5 P51681 1/20 0.56
CCR8 P51685 1/20 0.56
TUBB4A P04350 1/20 0.55
TUBB P07437 1/20 0.55
TUBA3C P0DPH7 1/20 0.55
TUBA1B P68363 1/20 0.55
TUBA4A P68366 1/20 0.55
TUBB4B P68371 1/20 0.55
TUBB3 Q13509 1/20 0.55
TUBB2A Q13885 1/20 0.55
TUBB8 Q3ZCM7 1/20 0.55
TUBA3E Q6PEY2 1/20 0.55
TUBA1A Q71U36 1/20 0.55
TUBA1C Q9BQE3 1/20 0.55
TUBB6 Q9BUF5 1/20 0.55

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
SCHEMBL700055 0.84 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL700056 0.84 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL23158820 0.84 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL31317665 0.84 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL29905756 0.83 CYP1A2 (0.65) RELANFE2L2CYP19A1NQO2CCR1
SCHEMBL28881474 0.81 RELA (0.64) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL19076166 0.79 RELA (0.60) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL7604736 0.78 CYP1A1 (0.66) NFE2L2CYP19A1CCR1CCR5CCR8
SCHEMBL700798 0.78 RELA (0.81) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL14401251 0.78 RELA (0.81) RELANFE2L2CYP19A1NQO2TUBB4A

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-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