SCHEMBL3467686

SCHEMBL3467686

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
XDH P47989 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ERBB2 P04626 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
TSHR P16473 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
GRM5 P41594 1/20 0.35
MBOAT4 Q96T53 1/20 0.34
USP2 O75604 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
SCHEMBL3467682 0.80 CYP11B2 (0.41) KDM4EMAPTL3MBTL1XDHCYP1A2
SCHEMBL27514116 0.66 KDM4E (0.49) KDM4EMAPTXDHCYP1A2CYP3A4
SCHEMBL3468429 0.66 ALDH1A1 (0.48) XDHALDH1A1TSHR
SCHEMBL21927209 0.66 HRH4 (0.44) KDM4EMAPTL3MBTL1ALDH1A1MEN1
SCHEMBL28018027 0.66 PIK3CD (0.38) KDM4EALDH1A1CYP11B1CYP11B2ADORA2A
SCHEMBL30659786 0.65 MAPK14 (0.45) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30092364 0.64 ALDH1A1 (0.75) KDM4EMAPTCYP3A4ALDH1A1MEN1
SCHEMBL27186829 0.64 ALDH1A1 (0.75) KDM4EMAPTCYP3A4ALDH1A1MEN1
Acetonitrile SCHEMBL21001784 0.64 ALDH1A1 (0.75) KDM4EMAPTCYP3A4ALDH1A1TSHR
SCHEMBL16277097 0.64 AAK1 (0.35) KDM4EMAPTALDH1A1MEN1KMT2A

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