SCHEMBL3467682

SCHEMBL3467682

Cc1cc(C(N)=O)cc(-c2ccc(C#N)c(C#N)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.41
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHUK O15111 1/20 0.38
CASP1 P29466 1/20 0.38
DHODH Q02127 1/20 0.36
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 5/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
GRM2 Q14416 1/20 0.35
CYP11B1 P15538 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MYC P01106 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
LDHA P00338 1/20 0.34

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
SCHEMBL3467686 0.80 KDM4E (0.38) CYP11B2MAPTALDH1A1MEN1KMT2A
SCHEMBL2117206 0.69 SYK (0.46) MAPTALDH1A1CASP1PARP1KDM4E
SCHEMBL2119855 0.67 MEN1 (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2120158 0.66 TP53 (0.40) MAPTMEN1KMT2ACHUK
SCHEMBL2117885 0.66 ALDH1A1 (0.37) MAPTALDH1A1MEN1KMT2ACHUK
SCHEMBL5224060 0.66 PARP1 (0.46) ALDH1A1PARP1GRM2MYCXDH
SCHEMBL30116316 0.65 DHODH (0.66) MAPTCHUKDHODHPARP1L3MBTL1
SCHEMBL2767509 0.65 S1PR3 (0.50) CYP11B2PARP1
SCHEMBL501850 0.64 PARP1 (0.60) MAPTALDH1A1KMT2ADHODHPARP1
SCHEMBL12865158 0.64 PARP1 (0.60) MAPTALDH1A1DHODHPARP1HPGD

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-2010085968-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS HIF-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-08-05 WO disclosed
WO-2010076034-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-07-08 WO disclosed