SCHEMBL7600994

SCHEMBL7600994

Cn1c(=O)c(C(=O)O)c(O)c2c(Br)cccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
ALDH1A1 P00352 2/20 0.46
MAP3K5 Q99683 1/20 0.44
EGFR P00533 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
PABPC1 P11940 2/20 0.42
PGR P06401 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HDAC4 P56524 1/20 0.40
EGLN1 Q9GZT9 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL15154524 0.84 MEN1 (0.58) KMT2AMEN1ALDH1A1EGFRGAA
SCHEMBL2443786 0.84 EGLN1 (0.60) KMT2AMEN1ALDH1A1MAP3K5L3MBTL1
SCHEMBL28678807 0.83 MEN1 (0.51) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL889415 0.82 EGFR (0.51) KMT2AMEN1ALDH1A1MAP3K5EGFR
SCHEMBL2381250 0.82 EGLN1 (0.61) KMT2AMEN1NPC1RAB9AEGLN1
SCHEMBL29463790 0.81 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1MAP3K5L3MBTL1
SCHEMBL17713228 0.81 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1MAP3K5L3MBTL1
SCHEMBL2382478 0.81 L3MBTL1 (0.51) KMT2AMEN1ALDH1A1MAP3K5L3MBTL1
SCHEMBL2382482 0.81 L3MBTL1 (0.51) KMT2AMEN1ALDH1A1MAP3K5L3MBTL1
SCHEMBL7753691 0.81 AGTR1 (0.42) KMT2AMEN1ALDH1A1MAP3K5EGFR

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