SCHEMBL7986686

SCHEMBL7986686

CCOC(=O)c1c(O)nc2cc(Cl)c(OC)cc2c1CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.40
TNF P01375 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
GLP1R P43220 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 1/20 0.37
HSD17B2 P37059 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
SCHEMBL5860177 0.90 MAPT (0.44) MAPTGAATHRBALDH1A1KDM4E
SCHEMBL6219800 0.86 MTNR1A (0.38) MAPTALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL5862670 0.79 TNF (0.39) MAPTGAAALDH1A1KDM4ETNF
SCHEMBL7973906 0.78 GABRA1 (0.42) MAPTGAAALDH1A1LMNAL3MBTL1
SCHEMBL6220451 0.77 PGK1 (0.41) MAPTALDH1A1SMN1; SMN2LMNAMTNR1A
SCHEMBL14492309 0.77 MAPT (0.49) MAPTGAATHRBALDH1A1KDM4E
SCHEMBL5859933 0.77 KDM4E (0.43) MAPTTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL7984792 0.77 MAPT (0.47) MAPTGAATHRBALDH1A1KDM4E
SCHEMBL5860143 0.75 LMNA (0.49) MAPTGAAALDH1A1KDM4ENPSR1
SCHEMBL5860087 0.74 ALDH1A1 (0.40) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1

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
US-6313135-B1 FOR THERAPY OF LEUKEMIA, COLON CANCER OR LUNG CANCER IN WARM-BLOODED ANIMALS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-11-06 US disclosed
US-5981542-A TOPOISOMERASE INHIBITORS; ANTITUMORAL DRUGS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-11-09 US disclosed