SCHEMBL3200384

SCHEMBL3200384

CSc1cc[c]c(C(N)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP1 P09874 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
IKBKB O14920 1/20 0.31
LIMK1 P53667 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL3114993 0.79 PARP1 (0.43) KDM4EMEN1KMT2APARP1IKBKB
SCHEMBL3220368 0.76 HTR7 (0.44)
SCHEMBL3002690 0.75 PIM1 (0.39) KDM4EKMT2APARP1HSD17B10MAPT
SCHEMBL5649760 0.73 PIM1 (0.31) KDM4EPARP1HSD17B10MAPT
SCHEMBL2800956 0.73 GABRP (0.37) PARP1IKBKBLIMK1
SCHEMBL6526686 0.73 PARP1 (0.31) PARP1
SCHEMBL2825804 0.72 PARP1 (0.31) PARP1
SCHEMBL2931588 0.72 LMNA (0.36) PARP1IKBKB
SCHEMBL3635703 0.72 PARP1 (0.31) PARP1
SCHEMBL3376017 0.72

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO disclosed