SCHEMBL27640795

SCHEMBL27640795

Cc1ccc2nc(Cl)c(C#N)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.57
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
TSHR P16473 1/20 0.54
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PABPC1 P11940 1/20 0.46

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
SCHEMBL10809702 0.80 NPSR1 (0.48) PKMKDM4EALDH1A1HPGDTSHR
SCHEMBL7264580 0.79 ALDH1A1 (0.41) PKMKDM4EALDH1A1HPGDTSHR
SCHEMBL27699779 0.79 KHK (0.49) PKMKDM4EALDH1A1HPGDTSHR
SCHEMBL807478 0.79 KDM4E (0.62) PKMKDM4EALDH1A1HPGDTSHR
SCHEMBL1289560 0.79 L3MBTL1 (0.65) KDM4EALDH1A1HPGDTSHRGAA
SCHEMBL30529287 0.79 ALDH1A1 (0.54) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL10333722 0.79 ALDH1A1 (0.54) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL1514476 0.77 ALDH1A1 (0.62) KDM4EALDH1A1HPGDTSHRGAA
SCHEMBL10803255 0.76 ALDH1A1 (0.42) PKMKDM4EALDH1A1HPGDNPSR1
SCHEMBL3835603 0.76 CYP1A2 (0.50) KDM4EALDH1A1NPSR1MAPTMEN1

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-1750823-A Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2006-03-22 CN disclosed