SCHEMBL8525738

SCHEMBL8525738

CC1(C)CCc2ccccc2C1=NO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CES1 P23141 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
SETD7 Q8WTS6 1/20 0.33
CYP2A6 P11509 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL8525737 1.00 HPGD (0.44) HPGDL3MBTL1HTR2AHTR2CHTR2B
SCHEMBL6859836 0.73 HTR2A (0.42) HPGDL3MBTL1HTR2AHTR2CHTR2B
SCHEMBL29447988 0.72 SIGMAR1 (0.57) HPGDL3MBTL1HTR2AHTR2CHTR2B
SCHEMBL3054003 0.72 SIGMAR1 (0.57) HPGDL3MBTL1HTR2AHTR2CHTR2B
SCHEMBL10387926 0.70 HPGD (0.36) HPGDL3MBTL1ALDH1A1CYP1A2CYP2C19
SCHEMBL10515088 0.70 HPGD (0.36) HPGDL3MBTL1ALDH1A1CYP1A2CYP2C19
SCHEMBL1119857 0.68 HPGD (0.44) HPGDL3MBTL1ALDH1A1CYP1A2CYP2C19
SCHEMBL4970172 0.68 HPGD (0.44) HPGDL3MBTL1ALDH1A1CYP1A2CYP2C19
SCHEMBL8525588 0.68 HPGD (0.44) HPGDL3MBTL1ALDH1A1CYP1A2CYP2C19
Methyl Alcohol SCHEMBL14815696 0.67 KDM1A (0.46) HTR2ASIGMAR1ALDH1A1KMT2AMEN1

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
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed