SCHEMBL20195204

SCHEMBL20195204

C=C(C(=O)c1ccccc1)c1ccc2c(c1)c(C1CC1)cc(=O)n2CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ALDH1A1 P00352 8/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 4/20 0.38
HPGD P15428 5/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
MMP14 P50281 1/20 0.38
CNR2 P34972 1/20 0.36

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
SCHEMBL20183676 0.91 KDM4E (0.44) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL20183528 0.80 KDM4E (0.48) KDM4EALDH1A1MAPTPKMTSHR
SCHEMBL22625650 0.79 KDM4E (0.39) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL20183585 0.79 RORC (0.54) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL20183851 0.78 ALDH1A1 (0.41) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL20183648 0.78 ALDH1A1 (0.51) KDM4EALDH1A1MAPTPKMKMT2A
SCHEMBL20183697 0.78 KDM4E (0.48) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL21549574 0.77 ALDH1A1 (0.38) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL21549568 0.77 KDM4E (0.39) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL20183587 0.76 KDM4E (0.41) KDM4EHTR3EHTR3BHTR3AHTR3D

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-3327004-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Fujifilm Corporation (JP) 2018-05-30 EP disclosed