SCHEMBL7128885

SCHEMBL7128885

CC1Cc2ccccc2N2CCC(=O)CC12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 6/20 0.41
GFER P55789 3/20 0.41
LMNA P02545 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 2/20 0.39
SRD5A1 P18405 2/20 0.37
MAPT P10636 1/20 0.36
AADAT Q8N5Z0 2/20 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
SCHEMBL5765145 0.78 HTR2C (0.51) KMT2AMEN1GAAGFERLMNA
SCHEMBL6945075 0.72 HTR2C (0.55) GAAGFERLMNAHTR2AHTR2C
SCHEMBL6946528 0.70 SRD5A1 (0.52) KMT2AMEN1GAAGFERLMNA
SCHEMBL11705208 0.69 ALDH1A1 (0.56) KMT2AMEN1GAAGFERLMNA
SCHEMBL27589264 0.66 MAPK1 (0.43) KMT2AMEN1GAAGFERALDH1A1
SCHEMBL18540658 0.65 HTR2A (0.44) KMT2AMEN1LMNAHTR2AHTR2C
SCHEMBL14382060 0.65 HTR2C (0.41) KMT2AMEN1GAAGFERLMNA
SCHEMBL12340980 0.65 ADRA1A (0.44) KMT2AMEN1HTR2AHTR2CNOTUM
SCHEMBL11829199 0.64 CRBN (0.52) GAAGFERLMNAHTR2AHTR2C
SCHEMBL11833888 0.63 GAA (0.46) KMT2AGAAGFERLMNAHTR2A

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
US-6514912-B1 Use of benzo[C]quinolizine derivatives as plant growth regulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-02-04 US claimed