SCHEMBL7597845

SCHEMBL7597845

C=CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.46
KMT2A Q03164 9/20 0.46
PGR P06401 1/20 0.46
POLB P06746 2/20 0.45
EGFR P00533 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 3/20 0.39
HDAC4 P56524 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.36
MAP3K5 Q99683 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7538286 0.89 TSHR (0.50) MEN1KMT2APGRPOLBALDH1A1
Laquinimod SCHEMBL29438575 0.87 TP53 (0.50) MEN1KMT2APGREGFRALDH1A1
Laquinimod SCHEMBL39440 0.87 TP53 (0.50) MEN1KMT2APGREGFRALDH1A1
Laquinimod SCHEMBL1573702 0.86 TP53 (0.49) MEN1KMT2APGREGFRALDH1A1
Laquinimod SCHEMBL1573491 0.86 TP53 (0.49) MEN1KMT2APGREGFRALDH1A1
Laquinimod SCHEMBL1573337 0.86 TP53 (0.49) MEN1KMT2APGREGFRALDH1A1
Laquinimod SCHEMBL1573704 0.86 TP53 (0.49) MEN1KMT2APGREGFRALDH1A1
SCHEMBL8136645 0.86 MEN1 (0.44) MEN1KMT2APGRPOLBALDH1A1
SCHEMBL7615154 0.86 MEN1 (0.44) MEN1KMT2APGRPOLBALDH1A1
SCHEMBL7597091 0.86 HDAC4 (0.55) MEN1KMT2APGRPOLBALDH1A1

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