SCHEMBL28812866

SCHEMBL28812866

c1ccc(Cc2cnc(-c3ccccc3)s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.65
CYP11B2 P19099 2/20 0.65
LMNA P02545 5/20 0.59
NAMPT P43490 3/20 0.52
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 1/20 0.48
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
QPCT Q16769 1/20 0.46
LTA4H P09960 1/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
MAPT P10636 2/20 0.45
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL10612365 0.90 NAMPT (0.60) CYP11B1CYP11B2LMNANAMPTALDH1A1
SCHEMBL4315835 0.88 CYP11B1 (0.65) CYP11B1CYP11B2LMNANAMPTHDAC1
SCHEMBL28162546 0.88 CYP11B1 (0.54) CYP11B1CYP11B2LMNANAMPTHDAC1
SCHEMBL20379257 0.88 CYP11B1 (0.54) CYP11B1CYP11B2LMNANAMPTHDAC1
SCHEMBL4317112 0.84 POLB (0.58) CYP11B1CYP11B2LMNANAMPTALDH1A1
SCHEMBL2095827 0.82 CYP11B1 (0.54) CYP11B1CYP11B2LMNANAMPTHDAC1
SCHEMBL10612370 0.81 LMNA (0.51) CYP11B1CYP11B2LMNANAMPTALDH1A1
SCHEMBL3492794 0.81 CYP11B1 (0.53) CYP11B1CYP11B2LMNAHDAC1HDAC2
SCHEMBL6973608 0.81 CYP11B1 (0.53) CYP11B1CYP11B2LMNAHDAC1HDAC2
SCHEMBL2226354 0.81 CYP11B1 (0.53) CYP11B1CYP11B2LMNANAMPTHDAC1

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
CN-104109155-A Novel compounds TANABE SEIYAKU CO 2014-10-22 CN disclosed
CN-103819465-A Novel compound MITSUBISHI TANABE PHARMA CORP 2014-05-28 CN disclosed