SCHEMBL7560567

SCHEMBL7560567

COc1ccc(Nc2c3ccccc3nc3ccccc23)c(NS(C)(=O)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.66
TOP2B Q02880 4/20 0.66
TOP2A P11388 3/20 0.66
GLA P06280 2/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2D6 P10635 2/20 0.66
CYP2C9 P11712 2/20 0.66
CASP1 P29466 2/20 0.66
CASP7 P55210 2/20 0.66
TP53 P04637 2/20 0.66
SLC22A1 O15245 1/20 0.66
ABCC4 O15439 1/20 0.66
NR1I2 O75469 1/20 0.66
CYP3A4 P08684 1/20 0.66
CHRM1 P11229 1/20 0.66
TOP1 P11387 1/20 0.66
DRD2 P14416 1/20 0.66
TSHR P16473 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66

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
Hydrochloric Acid SCHEMBL22716096 0.99 KMT2A (0.67) KDM1ATOP2BTOP2AGLACYP1A2
SCHEMBL31238359 0.81 KDM1A (0.74) KDM1ATOP2BTOP2AGLACYP1A2
SCHEMBL10416620 0.80 GAA (0.59) PTGS2HSD17B10KMT2AMEN1GFER
Amsacrine SCHEMBL29350869 0.80 TOP2B (1.00) KDM1ATOP2BTOP2AGLACYP1A2
O-Amsacrine SCHEMBL30941682 0.80 TOP2B (0.83) KDM1ATOP2BTOP2AGLACYP1A2
Amsacrine SCHEMBL28336991 0.80 TOP2B (1.00) KDM1ATOP2BTOP2AGLACYP1A2
Amsacrine SCHEMBL4047 0.80 TOP2B (1.00) KDM1ATOP2BTOP2AGLACYP1A2
Amsacrine SCHEMBL6256280 0.80 TOP2B (1.00) KDM1ATOP2BTOP2AGLACYP1A2
Amsacrine SCHEMBL29360354 0.80 TOP2B (1.00) KDM1ATOP2BTOP2AGLACYP1A2
Amsacrine SCHEMBL31316257 0.79 KMT2A (1.00) KDM1ATOP2BTOP2AGLACYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224322-A2 GENE SEQUENCE VARIATIONS WITH UTILITY IN DETERMINING THE TREATMENT OF DISEASE Variagenics, Inc. (US) 2002-07-24 EP disclosed
EP-1087801-B1 TOPOISOMERASE INHIBITORS FOR PREVENTION OF RESTENOSIS QUANAM MEDICAL CORP (US) 2002-01-16 EP disclosed
US-20020004679-A1 Topoisomerase inhibitors for prevention of restenosis QUANAM MEDICAL CORPORATION 2002-01-10 US disclosed
EP-1087801-A1 TOPOISOMERASE INHIBITORS FOR PREVENTION OF RESTENOSIS Quanam Medical Corporation (US) 2001-04-04 EP disclosed
WO-2000050639-A2 GENE SEQUENCE VARIATIONS WITH UTILITY IN DETERMINING THE TREATMENT OF DISEASE VARIAGENICS, INC. (US) 2000-08-31 WO disclosed
WO-2000000238-A9 TOPOISOMERASE INHIBITORS FOR PREVENTION OF RESTENOSIS QUANAM MEDICAL CORP (US) 2000-05-11 WO disclosed
WO-2000000238-A1 TOPOISOMERASE INHIBITORS FOR PREVENTION OF RESTENOSIS QUANAM MEDICAL CORPORATION (US) 2000-01-06 WO disclosed