SCHEMBL28175097

SCHEMBL28175097

CNc1cccc(C(=O)Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.49
▸ FABP4 P15090 1/20 0.49
▸ FABP5 Q01469 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ PDK1 Q15118 3/20 0.41
▸ PDK2 Q15119 3/20 0.41
▸ PDK3 Q15120 3/20 0.41
▸ PDK4 Q16654 3/20 0.41
▸ GPR35 Q9HC97 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ HPGD P15428 2/20 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
SCHEMBL8856841 0.83 KDM4E (0.54) FABP3FABP4FABP5KDM4EPOLB
SCHEMBL17027705 0.82 KDM4E (0.62) FABP3FABP4FABP5KDM4EPOLB
SCHEMBL31674407 0.82 KDM4E (0.62) FABP3FABP4FABP5KDM4EPOLB
SCHEMBL28304609 0.81 POLB (0.50) KDM4EPOLBPDK1PDK2PDK3
SCHEMBL11500348 0.80 PDK1 (0.60) FABP3FABP4FABP5KDM4EPOLB
SCHEMBL5285030 0.79 ALDH1A1 (0.52) KDM4EPOLBGPR35ALDH1A1ALOX15
SCHEMBL28255164 0.77 GPR35 (0.37) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL3788998 0.76 MAPT (0.44) FABP3FABP4FABP5KDM4EPOLB
SCHEMBL27286115 0.75 KCNMA1 (0.56) KDM4EPOLBATMALDH1A1ALOX15
SCHEMBL27724688 0.74 NPC1 (0.61) KDM4EPOLBALDH1A1MEN1KMT2A

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
CN-107200718-A Detect compound, method and the kit of the serobilas of DNA G tetra- 中国科学院化学研究所 2017-09-26 — — CN disclosed
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