SCHEMBL13265122

SCHEMBL13265122

CCCC(=O)c1cc(F)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
HTR7 P34969 1/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL21482768 0.86 HTR7 (0.47) KMT2AHSD17B10ALDH1A1HPGDALOX15
SCHEMBL27643700 0.85 CES2 (0.44) KMT2AMEN1HSD17B10ALDH1A1ALOX15
SCHEMBL22097354 0.84 KMT2A (0.70) KMT2AMEN1LMNAMAPK1CES2
SCHEMBL23594645 0.83 CES2 (0.43) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL25742812 0.82 HSD17B10 (0.59) KMT2AMEN1HSD17B10ALDH1A1HPGD
SCHEMBL5568822 0.81 MEN1 (0.71) KMT2AMEN1HSD17B10ALDH1A1HPGD
SCHEMBL13263814 0.81 HPGD (0.44) HSD17B10ALDH1A1HPGDALOX15TSHR
SCHEMBL6744202 0.81 F2R (0.56) KMT2AMEN1HSD17B10ALDH1A1HPGD
SCHEMBL6944180 0.80 CES2 (0.57) HSD17B10ALDH1A1HPGDALOX15TSHR
SCHEMBL3924529 0.80 PTPN1 (0.50) KMT2AMEN1ALDH1A1TSHRMAPT

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-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO disclosed