SCHEMBL18483232

SCHEMBL18483232

Cc1cc(C)n(-c2ccc(F)cc2)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.59
KDM4E B2RXH2 5/20 0.54
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 4/20 0.48
USP14 P54578 2/20 0.47
USP7 Q93009 1/20 0.47
HPGD P15428 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
USP5 P45974 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.43
APOBEC3G Q9HC16 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
S1PR4 O95977 1/20 0.41

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
SCHEMBL21227866 0.83 NOTUM (0.56) NOTUMKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL2760337 0.79 POLB (0.60) NOTUMKDM4EMAPK1SMN1; SMN2ALDH1A1
SCHEMBL5857932 0.78 ALDH1A1 (0.58) NOTUMKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL18482772 0.77 NOTUM (0.53) NOTUMKDM4ETSHRMAPK1SMN1; SMN2
SCHEMBL5329984 0.76 PTGS2 (0.49) NOTUMKDM4E
SCHEMBL21225466 0.76 ALDH1A1 (0.61) NOTUMKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL21225484 0.75 MAPT (0.54) NOTUMKDM4ETSHRMAPK1SMN1; SMN2
SCHEMBL23245297 0.75 KDM4E (0.50) NOTUMKDM4EMAPK1SMN1; SMN2ALDH1A1
SCHEMBL21387140 0.74 NOTUM (0.77) NOTUMKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL1979515 0.74 NOTUM (1.00) NOTUMKDM4ESMN1; SMN2ALDH1A1USP14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331893-B1 MANNOSE DERIVATIVES USEFUL FOR TREATING PATHOLOGIES ASSOCIATED WITH ADHERENT E. COLI ENTEROME (FR) 2019-05-22 EP disclosed
WO-2017021549-A1 MANNOSE DERIVATIVES USEFUL FOR TREATING PATHOLOGIES ASSOCIATED WITH ADHERENT E. COLI ENTEROME (FR) 2017-02-09 WO disclosed