SCHEMBL23009587

SCHEMBL23009587

COC(=O)c1sc2nc(-c3ccncc3)cc(C(F)(F)F)c2c1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOXM1 Q08050 2/20 0.59
MAPT P10636 7/20 0.59
RXFP1 Q9HBX9 2/20 0.59
KMT2A Q03164 8/20 0.58
MEN1 O00255 7/20 0.58
ALDH1A1 P00352 7/20 0.57
HPGD P15428 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
POLB P06746 3/20 0.55
KDM4E B2RXH2 7/20 0.55
MAPK1 P28482 2/20 0.55
CASP1 P29466 1/20 0.55
BRCA1 P38398 1/20 0.55
CASP7 P55210 1/20 0.55
HBB P68871 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LIMK1 P53667 3/20 0.53
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
LMNA P02545 1/20 0.50

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
SCHEMBL22981925 0.89 MAPT (0.58) FOXM1MAPTRXFP1KMT2AMEN1
SCHEMBL17586001 0.78 KMT2A (0.64) FOXM1MAPTRXFP1KMT2AMEN1
SCHEMBL23009467 0.78 KMT2A (0.73) FOXM1MAPTRXFP1KMT2AMEN1
SCHEMBL29714598 0.78 KMT2A (0.54) FOXM1MAPTRXFP1KMT2AMEN1
SCHEMBL30670350 0.78 KMT2A (0.54) FOXM1MAPTRXFP1KMT2AMEN1
SCHEMBL14955051 0.78 KMT2A (0.76) FOXM1MAPTRXFP1KMT2AMEN1
SCHEMBL22982424 0.77 KMT2A (0.66) FOXM1MAPTRXFP1KMT2AMEN1
SCHEMBL31748948 0.77 KMT2A (0.66) FOXM1MAPTRXFP1KMT2AMEN1
SCHEMBL19769226 0.77 KMT2A (0.74) FOXM1MAPTRXFP1KMT2AMEN1
SCHEMBL429729 0.75 FOXM1 (0.85) FOXM1MAPTRXFP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021028919-A1 METHODS AND COMPOSITIONS FOR PREVENTING SKIN TOXICITIES CAUSED BY BIOLOGICAL TARGETED CANCER DRUGS HADASIT MEDICAL RESEARCH SERVICES & DEVELOPMENT LIMITED (IL) 2021-02-18 WO disclosed