SCHEMBL24727249

SCHEMBL24727249

CC1CCc2[nH]c3ccccc3c21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.49
NR2E1 Q9Y466 2/20 0.49
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MCHR1 Q99705 1/20 0.45
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC2A1 P11166 1/20 0.42
RB1 P06400 1/20 0.42
CHRNA7 P36544 1/20 0.41
HTR5A P47898 1/20 0.41
NISCH Q9Y2I1 1/20 0.41

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
SCHEMBL8582769 0.90 SIGMAR1 (0.47) SIGMAR1NR2E1KDM4EKMT2AMEN1
SCHEMBL1795735 0.76 KDM4E (0.46) SIGMAR1NR2E1KDM4EKMT2AMEN1
SCHEMBL13064448 0.75 MCHR1 (0.43) SIGMAR1NR2E1KMT2ADRD2DRD1
SCHEMBL8373699 0.74 MCHR1 (0.47) SIGMAR1NR2E1KDM4EKMT2ADRD2
SCHEMBL6277821 0.73 NISCH (0.47) KDM4EKMT2AMEN1MAPTHPGD
SCHEMBL8791963 0.73 RB1 (0.49) SIGMAR1NR2E1DRD2DRD1RB1
SCHEMBL2515919 0.72 NR2E1 (0.67) NR2E1KMT2AMEN1DRD2DRD1
SCHEMBL14473893 0.72 BRD3 (0.58) SIGMAR1NR2E1KDM4EDRD2DRD1
SCHEMBL28912217 0.72 NR2E1 (0.50) SIGMAR1NR2E1KDM4EDRD2DRD1
SCHEMBL8154453 0.72 MCHR1 (0.49) SIGMAR1NR2E1KDM4EKMT2AMEN1

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-4074706-A1 DEUTERATED HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE LG Display Co., Ltd. (KR) 2022-10-19 EP disclosed