SCHEMBL11728537

SCHEMBL11728537

Cc1nc(C)n(-c2ccc(N)cc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
TSHR P16473 1/20 0.38
HAVCR2 Q8TDQ0 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL12180309 0.83 LMNA (0.49) KDM4EHTTL3MBTL1LMNA
SCHEMBL960631 0.81 ALDH1A1 (0.39) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL11723860 0.76 CDK4 (0.44) KDM4EALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL2268882 0.74 HTT (0.50) KDM4EALDH1A1HTTL3MBTL1LMNA
SCHEMBL19814656 0.74 MAPT (0.44) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL20278384 0.72 MAPT (0.46) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL3758184 0.72 NPC1 (0.44) MAPTKDM4EALDH1A1CYP3A4SMN1; SMN2
SCHEMBL19814290 0.71 MAPT (0.44) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL3691501 0.70 HSP90AA1 (0.48) MAPTKDM4EALDH1A1POLBHTT
SCHEMBL17292935 0.70 MAPT (0.44) MAPTKDM4ERAD52ALDH1A1POLB

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
US-4060531-A OPTICAL BRIGTENERS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-11-29 US disclosed