SCHEMBL9544599

SCHEMBL9544599

C1=CCC2=C(C1)c1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CDC25B P30305 2/20 0.42
MAOA P21397 3/20 0.38
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 3/20 0.33
CES1 P23141 2/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CES2 O00748 1/20 0.33
APAF1 O14727 1/20 0.33
TERT O14746 1/20 0.33
PLIN1 O60240 1/20 0.33
TDP2 O95551 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL11882418 0.83 MEN1 (0.55) MEN1KMT2ACDC25BMAOATSHR
SCHEMBL787044 0.77 CDC25B (0.55) MEN1KMT2ACDC25BMAOATSHR
SCHEMBL3302659 0.72 MAOA (0.48) MEN1KMT2ACDC25BMAOATSHR
SCHEMBL9551924 0.72 MEN1 (0.47) MEN1KMT2ACDC25BMAOATSHR
SCHEMBL2385124 0.70
SCHEMBL8554418 0.67 MAOA (0.43) MEN1KMT2ACDC25BMAOATSHR
SCHEMBL29133072 0.67 TSHR (0.47) MEN1KMT2ACDC25BMAOATSHR
SCHEMBL44447 0.65 TSHR (0.44) MAOATSHRCES1CYP1A2IDO1
SCHEMBL11875421 0.64 MEN1 (0.61) MEN1KMT2ACDC25BMAOATSHR
SCHEMBL49870 0.64 MEN1 (0.61) MEN1KMT2ACDC25BMAOATSHR

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-1993019156-A1 PROCESS FOR PREPARING CONCENTRATED IMIDAZOLINE FABRIC SOFTENER COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1993-09-30 WO disclosed