SCHEMBL30982192

SCHEMBL30982192

NC(=O)CCC(c1ccccc1)C1CCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
PKM P14618 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
FFAR1 O14842 1/20 0.44
MITF O75030 1/20 0.44
NR3C2 P08235 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTR1E P28566 1/20 0.40
S1PR3 Q99500 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM2 Q14416 2/20 0.38
GRM3 Q14832 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL30982183 0.95 KMT2A (0.63) KMT2AMEN1PKMCTDSP1FFAR1
SCHEMBL5652288 0.83 MEN1 (0.58) KMT2AMEN1PKMCTDSP1FFAR1
SCHEMBL27661415 0.80 PKM (0.57) KMT2AMEN1PKMCTDSP1FFAR1
SCHEMBL8007179 0.79 KMT2A (0.67) KMT2AMEN1PKMCTDSP1FFAR1
SCHEMBL31265279 0.78 PKM (0.53) KMT2AMEN1PKMCTDSP1FFAR1
SCHEMBL30982177 0.77 MEN1 (0.56) KMT2AMEN1PKMCTDSP1FFAR1
SCHEMBL4180738 0.77 FFAR1 (0.61) KMT2AMEN1PKMFFAR1NR3C2
SCHEMBL7794187 0.76 HRH1 (0.53) KMT2AMEN1PKMCTDSP1FFAR1
SCHEMBL7194995 0.75 PKM (0.56) KMT2AMEN1PKMCTDSP1FFAR1
SCHEMBL6989805 0.75 KMT2A (0.44) KMT2AMEN1PKMLMNASMN1; SMN2

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-2024153595-A1 CHROMANE DERIVATIVES AS EGFR SELECTIVE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-07-25 WO disclosed