SCHEMBL10724537

SCHEMBL10724537

Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)nc(C(=O)O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.58
▸ KDM4E B2RXH2 7/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ KLK7 P49862 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NR1H2 P55055 1/20 0.45
▸ NR1H3 Q13133 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RORC P51449 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ GAA P10253 3/20 0.43

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
SCHEMBL10725215 0.88 DHODH (0.51) DHODHKDM4EALDH1A1HSD17B10KLK7
SCHEMBL16039146 0.85 CYP1A1 (0.60) KDM4EALDH1A1MAPK1TDP1MEN1
SCHEMBL7601367 0.83 ABCG2 (0.54) DHODHKDM4EALDH1A1TDP1MEN1
SCHEMBL10724373 0.83 DHODH (0.59) DHODHKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL5781008 0.80 ABCG2 (0.57) KDM4EALDH1A1TDP1L3MBTL1MEN1
Dimethylamine SCHEMBL4104002 0.77 ABCG2 (0.55) KDM4EALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL12033647 0.77 MEN1 (0.53) DHODHKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL28484815 0.77 KDM4E (0.49) DHODHKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL28190057 0.77 LMNA (0.53) KDM4EALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL22542808 0.75 TP53 (0.46) DHODHKDM4EALDH1A1TDP1MEN1

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-4639454-A LYMPHOID LEUKEMIA E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-01-27 — — US disclosed
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