SCHEMBL7984792

SCHEMBL7984792

CCOC(=O)c1cc(CCl)c2cc(OC)c(Cl)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TNF P01375 2/20 0.41
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.39
GLP1R P43220 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGES O14684 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
PGK1 P00558 1/20 0.39
GSK3B P49841 1/20 0.39
MAP4K2 Q12851 1/20 0.39
GABRA1 P14867 1/20 0.38

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
SCHEMBL7972875 0.82 KMT2A (0.47) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL9319008 0.81 TNF (0.50) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL14492309 0.79 MAPT (0.49) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL5860177 0.78 MAPT (0.44) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL7986686 0.77 MAPT (0.41) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL2909922 0.72 NQO2 (0.44) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL18132240 0.72 S1PR2 (0.43) MAPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL30629571 0.72 MAPT (0.62) MAPTGAATHRBALDH1A1KDM4E
SCHEMBL2725474 0.70 MAPT (0.60) MAPTGAATHRBALDH1A1KDM4E
SCHEMBL1424815 0.70 GABRP (0.48) MAPTGAATHRBALDH1A1SMN1; SMN2

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