SCHEMBL8000762

SCHEMBL8000762

CC(CCNC1=C(C(=N)C(F)(F)F)CCCC1)C(=O)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KLK7 P49862 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ANO1 Q5XXA6 2/20 0.34
POLB P06746 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL8004014 0.88 RAB9A (0.41) KMT2ANPC1RAB9AALDH1A1LMNA
SCHEMBL8006929 0.88 KLK7 (0.40) KLK7MEN1KMT2ANPC1RAB9A
SCHEMBL7992235 0.78 LMNA (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8001897 0.69 HDAC1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8004256 0.69 HDAC3 (0.47) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL12952768 0.67 HDAC3 (0.46) HSD17B10MEN1KMT2AALDH1A1LMNA
SCHEMBL9709062 0.66 MME (0.56) MMEACEHSD17B10KLK7MEN1
SCHEMBL31290862 0.66 MME (0.59) MMEACETSHRHSD17B10MEN1
SCHEMBL10067641 0.66 MME (0.59) MMEACETSHRHSD17B10MEN1
SCHEMBL1491201 0.66 HSD17B10 (0.69) MMEACETSHRHSD17B10MEN1

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-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed