SCHEMBL7600409

SCHEMBL7600409

CCCN(C(=O)c1c(O)c2c(OC)cccc2n(C)c1=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.57
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
PGR P06401 1/20 0.46
POLB P06746 2/20 0.40
PABPC1 P11940 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
HIF1A Q16665 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP3K5 Q99683 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
APLNR P35414 1/20 0.37

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
SCHEMBL5165770 0.92 HDAC4 (0.59) HDAC4KMT2AMEN1PGRPOLB
SCHEMBL19628902 0.86 MEN1 (0.48) HDAC4KMT2AMEN1PGRPOLB
SCHEMBL7597091 0.86 HDAC4 (0.55) HDAC4KMT2AMEN1PGRPOLB
SCHEMBL7600507 0.85 MEN1 (0.47) HDAC4KMT2AMEN1PGRPOLB
SCHEMBL6994317 0.84 HDAC4 (0.77) HDAC4KMT2AMEN1PGRPOLB
SCHEMBL7535425 0.84 HDAC4 (0.62) HDAC4KMT2AMEN1PGRPOLB
SCHEMBL7612167 0.84 MEN1 (0.46) HDAC4KMT2AMEN1PGRPOLB
SCHEMBL7722437 0.84 MEN1 (0.46) HDAC4KMT2AMEN1PGRPOLB
SCHEMBL7722435 0.83 MEN1 (0.45) HDAC4KMT2AMEN1PGRPOLB
SCHEMBL7613408 0.82 MEN1 (0.44) HDAC4KMT2AMEN1PGRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073639-B1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2002-11-27 EP disclosed
US-6077851-A USED FOR TREATMENT OF DISEASES RESULTING FROM AUTOIMMUNITY SUCH AS MULTIPLE SCLEROSIS, INSULIN-DEPENDENT DIABETES MELLITUS, SYSTEMIC LUPUS ERYTHEMATOSUS, RHEUMATOID ARTHRITIS, INFAMMATORY BOWEL DISEASE AND PSORIASIS; LAQUINIMOD AS NEW CHEMICAL ENTITY ACTIVE BIOTECH AB (SE) 2000-06-20 US disclosed