SCHEMBL10778656

SCHEMBL10778656

O=C1C=C(Nc2cccc(Cl)c2)C(=O)c2nccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GUCY1B2 O75343 1/20 0.50
MAPT P10636 1/20 0.50
GUCY1A2 P33402 1/20 0.50
GUCY1A1 Q02108 1/20 0.50
GUCY1B1 Q02153 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
ROCK1 Q13464 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
FADS1 O60427 2/20 0.41

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
SCHEMBL8368850 0.83 SMN1; SMN2 (0.50) KMT2AMEN1ALDH1A1GUCY1B2MAPT
SCHEMBL8368911 0.83 MAPT (0.50) KMT2AMEN1ALDH1A1GUCY1B2MAPT
SCHEMBL8368653 0.82 MAPT (0.70) KMT2AMEN1ALDH1A1GUCY1B2MAPT
SCHEMBL29633296 0.75 MAPT (0.69) KMT2AMEN1ALDH1A1GUCY1B2MAPT
SCHEMBL16296863 0.75 MAPT (0.69) KMT2AMEN1ALDH1A1GUCY1B2MAPT
SCHEMBL8367302 0.74 CDK4 (0.56) KMT2AMEN1ALDH1A1GUCY1B2MAPT
SCHEMBL8371672 0.74 CDK4 (0.58) KMT2AMEN1ALDH1A1GUCY1B2MAPT
SCHEMBL4058567 0.71 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8368885 0.70 MEN1 (0.48) KMT2AMEN1ALDH1A1GUCY1B2MAPT
SCHEMBL8369508 0.70 CDK4 (0.60) KMT2AMEN1ALDH1A1GUCY1B2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107365-B1 6-ANILINO-5,8-QUINOXALINEDIONES ELI LILLY AND COMPANY (US) 1987-07-22 EP claimed
EP-0107365-A2 6-Anilino-5,8-quinoxalinediones ELI LILLY AND COMPANY (US) 1984-05-02 EP claimed
EP-0107365-B1 6-ANILINO-5,8-QUINOXALINEDIONES ELI LILLY AND COMPANY (US) 1987-07-22 EP disclosed
US-4486432-A ANTIASTHMA ELI LILLY AND COMPANY (US) 1984-12-04 US disclosed
EP-0107365-A2 6-Anilino-5,8-quinoxalinediones ELI LILLY AND COMPANY (US) 1984-05-02 EP disclosed