SCHEMBL3718441

SCHEMBL3718441

[CH2]c1cc(-c2ccc(C#N)cn2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
GRM5 P41594 5/20 0.42
EGLN2 Q96KS0 3/20 0.40
KDM1A O60341 1/20 0.40
KCNH2 Q12809 1/20 0.38
P2RX7 Q99572 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL3467724 0.82 CYP11B1 (0.47) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9021665 0.78 KDM4E (0.61) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL12855304 0.77 ALDH1A1 (0.57) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL3467721 0.76 CASP1 (0.49) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL13986853 0.76 KDM4E (0.59) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8028548 0.75 KDM4E (0.47) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL17116615 0.75 KDM4E (0.55) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL25308859 0.75 KDM4E (0.46) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL19231297 0.75 KDM1A (0.50) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9022425 0.75 KDM4E (0.58) KDM4EALDH1A1HPGDL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010085968-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS HIF-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-08-05 WO disclosed