SCHEMBL27552001

SCHEMBL27552001

CCC(Cc1ccncc1)=NO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
CYP19A1 P11511 8/20 0.38
LOXL2 Q9Y4K0 2/20 0.37
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL10716701 0.87 LOXL2 (0.42) HTTGAAMAPTCYP19A1LOXL2
SCHEMBL5604550 0.79 CTBP2 (0.48) HTTGAAMAPTALDH1A1KDM4E
SCHEMBL5604545 0.79 CTBP2 (0.48) HTTGAAMAPTALDH1A1KDM4E
SCHEMBL27399090 0.78 CTBP2 (0.48) MAPTALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL3663329 0.75 HTT (0.47) HTTGAAMAPTCYP19A1LOXL2
SCHEMBL8507706 0.73 SLC6A4 (0.41) HTTALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL13268901 0.73 SMN1; SMN2 (0.59) HTTALDH1A1CYP3A4CYP2C19KDM4E
SCHEMBL13268903 0.73 SMN1; SMN2 (0.59) HTTALDH1A1CYP3A4CYP2C19KDM4E
SCHEMBL11134123 0.72 HTT (0.41) HTTGAAMAPTCYP19A1LOXL2
SCHEMBL6429888 0.71 LOXL2 (0.44) HTTGAAMAPTCYP19A1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1324012-C TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2007-07-04 CN disclosed
CN-1307159-C TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2007-03-28 CN disclosed
CN-1284771-C TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2006-11-15 CN disclosed
CN-1590374-A TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2005-03-09 CN disclosed
CN-1590375-A TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2005-03-09 CN disclosed
CN-1432000-A TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2003-07-23 CN disclosed