SCHEMBL7972875

SCHEMBL7972875

CCOC(=O)c1cc(CN2CCN(C)CC2)c2cc(OC)c(Cl)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
PGK1 P00558 2/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
RIOK3 O14730 1/20 0.41
MTNR1A P48039 1/20 0.41
HTT P42858 1/20 0.40
BRD4 O60885 1/20 0.40
KDR P35968 1/20 0.39
TSHR P16473 1/20 0.39
TNF P01375 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7984792 0.82 MAPT (0.47) KMT2APGK1KDM4EALDH1A1HPGD
SCHEMBL5860169 0.82 KMT2A (0.51) KMT2APGK1KDM4EALDH1A1HPGD
SCHEMBL9319008 0.74 TNF (0.50) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6220430 0.73 PGK1 (0.44) KMT2APGK1KDM4EALDH1A1HPGD
SCHEMBL5860061 0.71 PGK1 (0.46) KMT2APGK1MAPTGAARIOK3
SCHEMBL14492309 0.69 MAPT (0.49) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL31721290 0.67 KDM4E (0.43) KMT2AKDM4EALDH1A1MAPTGAA
SCHEMBL5860177 0.66 MAPT (0.44) KMT2APGK1KDM4EALDH1A1HPGD
SCHEMBL7698253 0.66 KDM4E (0.46) KMT2AKDM4EALDH1A1MAPTGAA
SCHEMBL1424815 0.66 GABRP (0.48) KDM4EALDH1A1HSD17B10MAPTGAA

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