SCHEMBL31027151

SCHEMBL31027151

O=C1CCCc2[nH]c3ccccc3c21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HSD17B10 Q99714 2/20 0.57
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
PARP1 P09874 6/20 0.43
MAPT P10636 1/20 0.43
CHEK1 O14757 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
TNKS2 Q9H2K2 2/20 0.41
PARP2 Q9UGN5 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
SCHEMBL2220752 1.00 DYRK1A (0.58) DYRK1AMEN1KMT2AHSD17B10KDM4E
SCHEMBL7441456 0.96 KDM4E (0.60) DYRK1AMEN1KMT2AHSD17B10KDM4E
SCHEMBL4287798 0.89 KDM4E (0.50) DYRK1AMEN1KMT2AHSD17B10KDM4E
SCHEMBL30451928 0.89 KDM4E (0.50) DYRK1AMEN1KMT2AHSD17B10KDM4E
SCHEMBL23537356 0.82 PARP1 (0.59) DYRK1AMEN1KMT2AHSD17B10KDM4E
SCHEMBL29824193 0.82 PARP1 (0.59) DYRK1AMEN1KMT2AHSD17B10KDM4E
SCHEMBL29824409 0.79 PARP1 (0.64) DYRK1AMEN1KMT2AHSD17B10KDM4E
SCHEMBL8455896 0.79 KDM4E (0.47) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL23537328 0.79 PARP1 (0.64) DYRK1AMEN1KMT2AHSD17B10KDM4E
SCHEMBL619090 0.78 KDR (0.60) MEN1KMT2AHSD17B10KDM4EALDH1A1

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-118541637-A Nonlinear optical chromophores with tetrahydrocarbazole donor groups, lyotropic compositions containing them, and methods of polarizing such compositions 光波逻辑有限公司 2024-08-23 CN disclosed