SCHEMBL22810064

SCHEMBL22810064

C/C=C\C1=Cc2c([nH]c3ccccc23)CC1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.36
DRD5 P21918 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 4/20 0.35
NR2E1 Q9Y466 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
IDO1 P14902 1/20 0.34
PTPN1 P18031 1/20 0.34
MAPK10 P53779 1/20 0.34
RIPK1 Q13546 1/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MCHR1 Q99705 1/20 0.33
TP53 P04637 1/20 0.33
RB1 P06400 1/20 0.33

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
SCHEMBL24037152 0.77 DRD1 (0.39) DRD1DRD5DRD2DRD4DRD3
SCHEMBL15926424 0.67 KDM4E (0.43) DRD1DRD5DRD2DRD4DRD3
SCHEMBL22448070 0.61 SIGMAR1 (0.33) SIGMAR1NR2E1KDM4EMAPTIDO1
SCHEMBL11076324 0.61 NR2E1 (0.54) DRD1DRD5DRD2DRD4DRD3
SCHEMBL24343231 0.61 NR2E1 (0.40) SIGMAR1NR2E1KDM4EMAPTIDO1
SCHEMBL24727851 0.60 MAOB (0.36) SIGMAR1NR2E1KDM4EMEN1KMT2A
SCHEMBL223751 0.60 ALDH1A1 (0.50) NR2E1KDM4EMEN1KMT2AHPGD
SCHEMBL19563495 0.60 HPGD (0.40) NR2E1KDM4EMAPTIDO1PTPN1
SCHEMBL24727249 0.60 SIGMAR1 (0.49) DRD1DRD2SIGMAR1NR2E1KDM4E
SCHEMBL20462113 0.60 HTR2A (0.42) NR2E1KDM4EIDO1PTPN1HPGD

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-3753925-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE Idemitsu Kosan Co.,Ltd. (JP) 2020-12-23 EP disclosed