SCHEMBL6827155

SCHEMBL6827155

COc1cnc([S])nc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PPP1CA P62136 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
POLB P06746 1/20 0.43
HTR2A P28223 7/20 0.42
SLC6A4 P31645 7/20 0.42
KCNH2 Q12809 6/20 0.42
CYP2C9 P11712 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDR P35968 1/20 0.41
LMNA P02545 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6823721 0.82 L3MBTL1 (0.56) MEN1KMT2APPP1CAL3MBTL1POLB
SCHEMBL6827047 0.81 KMT2A (0.47) MEN1KMT2APPP1CAL3MBTL1POLB
SCHEMBL6826997 0.74 PPP1CA (0.65) MEN1KMT2APPP1CAL3MBTL1POLB
SCHEMBL9122113 0.73 KMT2A (0.50) MEN1KMT2AL3MBTL1POLBCYP2C9
SCHEMBL6827214 0.72 PIN1 (0.46) MEN1KMT2APPP1CAL3MBTL1POLB
SCHEMBL5862483 0.70 HTR2A (0.54) HTR2ASLC6A4KCNH2
SCHEMBL31287771 0.66 HSP90AA1 (0.57) MEN1KMT2AHTR2ASLC6A4KCNH2
SCHEMBL11175966 0.66 HSP90AA1 (0.57) MEN1KMT2AHTR2ASLC6A4KCNH2
SCHEMBL30672829 0.66 PIN1 (0.51) MEN1KMT2APPP1CAL3MBTL1POLB
SCHEMBL16391122 0.66 PIN1 (0.51) MEN1KMT2APPP1CAL3MBTL1POLB

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
WO-2004054988-A1 ARYLTHIOETHERPYRIMIDINE AND ARYLOXYETHERPYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USES ACTIVE PASS PHARMACEUTICALS, INC. (CA) 2004-07-01 WO claimed
WO-2004054988-A1 ARYLTHIOETHERPYRIMIDINE AND ARYLOXYETHERPYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USES ACTIVE PASS PHARMACEUTICALS, INC. (CA) 2004-07-01 WO disclosed