SCHEMBL6985541

SCHEMBL6985541

[CH2]Cc1cc(C)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
NCF1 P14598 5/20 0.56
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GALR3 O60755 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6494917 0.85 CYP1A2 (0.60) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL1366357 0.82 CYP1A2 (0.62) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL8232676 0.82 CYP1A2 (0.62) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL4870967 0.82 CYP1A2 (0.53) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL994597 0.81 CYP1A2 (0.60) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL3921968 0.81 CYP1A2 (0.60) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL3964916 0.81 CYP1A2 (0.60) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL265139 0.81 NCF1 (0.61) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL6494921 0.81 CYP1A2 (0.60) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL5898542 0.81 CYP1A2 (0.60) CYP1A2NCF1CYP2C19KDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322627-A1 CYCLIC SULFONYL COMPOUNDS AS INHIBITORS OF METALLOPROTEASES Bristol-Myers Squibb Pharma Company (US) 2003-07-02 EP disclosed
WO-2002048116-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO disclosed
WO-2002028846-A1 CYCLIC SULFONYL COMPOUNDS AS INHIBITORS OF METALLOPROTEASES DUPONT PHARMACEUTICALS COMPANY (US) 2002-04-11 WO disclosed