SCHEMBL9739742

SCHEMBL9739742

COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc3ccccc3cc12

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 5/20 0.88
TOP2A P11388 4/20 0.88
KDM1A O60341 3/20 0.88
GLA P06280 2/20 0.88
CYP1A2 P05177 2/20 0.88
CYP2D6 P10635 2/20 0.88
CYP2C9 P11712 2/20 0.88
CASP1 P29466 2/20 0.88
CASP7 P55210 2/20 0.88
SLC22A1 O15245 1/20 0.88
ABCC4 O15439 1/20 0.88
NR1I2 O75469 1/20 0.88
TP53 P04637 1/20 0.88
CYP3A4 P08684 1/20 0.88
CHRM1 P11229 1/20 0.88
TOP1 P11387 1/20 0.88
DRD2 P14416 1/20 0.88
TSHR P16473 1/20 0.88
ADRA2B P18089 1/20 0.88
ADRA2C P18825 1/20 0.88

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
Amsacrine SCHEMBL29350869 0.94 TOP2B (1.00) TOP2BTOP2AKDM1AGLACYP1A2
Amsacrine SCHEMBL6256280 0.94 TOP2B (1.00) TOP2BTOP2AKDM1AGLACYP1A2
Amsacrine SCHEMBL28336991 0.94 TOP2B (1.00) TOP2BTOP2AKDM1AGLACYP1A2
Amsacrine SCHEMBL29360354 0.94 TOP2B (1.00) TOP2BTOP2AKDM1AGLACYP1A2
Amsacrine SCHEMBL4047 0.94 TOP2B (1.00) TOP2BTOP2AKDM1AGLACYP1A2
Amsacrine SCHEMBL1320825 0.92 KMT2A (1.00) TOP2BTOP2AKDM1AGLACYP1A2
Amsacrine SCHEMBL31316257 0.92 KMT2A (1.00) TOP2BTOP2AKDM1AGLACYP1A2
Amsacrine SCHEMBL31237896 0.91 TOP2B (0.95) TOP2BTOP2AKDM1AGLACYP1A2
Amsacrine SCHEMBL2920983 0.91 TOP2B (0.95) TOP2BTOP2AKDM1AGLACYP1A2
Amsacrine SCHEMBL21827756 0.88 TOP2B (0.89) TOP2BTOP2AKDM1AGLACYP1A2

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-5128345-A CARCINOSTATIC COMPOSITION COMPRISING INDOLQUINOLINES MECT CORPORATION (JP) 1992-07-07 US disclosed
EP-0332190-A2 Condensed quinoline system compound, condensed acridine system compound, process for preparing the same, and carcinostatic composition containing the same MECT CORPORATION (JP) 1989-09-13 EP disclosed