SCHEMBL20355752

SCHEMBL20355752

CCC(=N)Nc1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
CYP1A2 P05177 3/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HPGD P15428 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
HTT P42858 1/20 0.50
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47

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
SCHEMBL16139278 0.84 HSD17B10 (0.53) HSD17B10CYP1A2MEN1KMT2ACYP3A4
SCHEMBL6422898 0.80 HSD17B10 (0.62) HSD17B10CYP1A2MEN1KMT2ACYP3A4
SCHEMBL20881126 0.80 SIGMAR1 (0.45) MEN1KMT2ACYP3A4CYP2C19CYP2D6
SCHEMBL14465838 0.78 MAPT (0.50) HSD17B10MEN1KMT2ACYP3A4HPGD
SCHEMBL27390003 0.78 HSD17B10 (0.55) HSD17B10CYP1A2MEN1KMT2ACYP3A4
SCHEMBL2502058 0.78 RAB9A (0.69) HSD17B10CYP1A2MEN1KMT2ACYP3A4
SCHEMBL1740852 0.77 CYP1A2 (0.67) HSD17B10CYP1A2MEN1KMT2ACYP3A4
SCHEMBL14432349 0.77 HSD17B10 (0.58) HSD17B10CYP1A2MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL23721867 0.76 RAB9A (0.67) HSD17B10CYP1A2MEN1KMT2ACYP3A4
SCHEMBL4648147 0.76 POLB (0.52) CYP1A2MEN1KMT2ACYP3A4CYP2C19

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-2018122775-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2018-07-05 WO disclosed