SCHEMBL28458672

SCHEMBL28458672

O=C(Cl)c1ccc2sc3ccc(C(=O)Cl)cc3c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
HCRTR1 O43613 2/20 0.40
MEN1 O00255 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
STS P08842 1/20 0.38
POLB P06746 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL28458734 0.93 KDM4E (0.46) KDM4ECYP1A2ALDH1A1NPC1RAB9A
SCHEMBL9329268 0.92 KDM4E (0.61) KDM4ECYP1A2ALDH1A1NPC1RAB9A
SCHEMBL11809774 0.90 CYP1A2 (0.47) KDM4ECYP1A2ALDH1A1NPC1RAB9A
SCHEMBL28460242 0.85 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL11595014 0.83 CYP1A2 (0.46) CYP1A2ALDH1A1RAB9AMAPTHPGD
SCHEMBL487121 0.83 ALDH1A1 (0.47) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL28453627 0.82 STS (0.49) KDM4ECYP1A2ALDH1A1NPC1RAB9A
SCHEMBL11041632 0.81 CYP1A2 (0.60) KDM4ECYP1A2ALDH1A1RAB9AMAPT
SCHEMBL9329684 0.81 KDM4E (0.53) KDM4ECYP1A2ALDH1A1NPC1RAB9A
SCHEMBL28456827 0.77 STS (0.45) KDM4ECYP1A2ALDH1A1NPC1RAB9A

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-111269420-A High-plane-rigidity thioxanthone polyimide and preparation method and application thereof 湖南工业大学 2020-06-12 CN disclosed