SCHEMBL8499830

SCHEMBL8499830

C/C(CCc1ccccc1)=N\N(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
KEAP1 Q14145 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
AOC3 Q16853 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
ALOX5 P09917 2/20 0.39
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8499831 1.00 KDM4E (0.47) KDM4ERECQLALDH1A1KMT2AGAA
SCHEMBL8499167 0.84 ALDH1A1 (0.50) KDM4ERECQLALDH1A1KMT2AGAA
SCHEMBL8499169 0.84 ALDH1A1 (0.50) KDM4ERECQLALDH1A1KMT2AGAA
SCHEMBL8498249 0.80 GAA (0.51) KDM4ERECQLALDH1A1KMT2AGAA
SCHEMBL8498244 0.80 GAA (0.51) KDM4ERECQLALDH1A1KMT2AGAA
SCHEMBL19966697 0.78 ATM (0.36) ALDH1A1KMT2AKEAP1TAAR1SIGMAR1
SCHEMBL27577810 0.74 LMNA (0.42) ALDH1A1KMT2ALMNA
SCHEMBL24834896 0.74 ALDH1A1 (0.57) KDM4ERECQLALDH1A1KMT2AKEAP1
SCHEMBL5593707 0.74 ALDH1A1 (0.57) KDM4ERECQLALDH1A1KMT2AKEAP1
SCHEMBL2551920 0.74 ALDH1A1 (0.57) KDM4ERECQLALDH1A1KMT2AKEAP1

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-1999040062-A1 HYDRAZONE DERIVATIVES NOVO NORDISK A/S (DK) 1999-08-12 WO disclosed