SCHEMBL2298531

SCHEMBL2298531

CC(C)(C)OC(=O)C[C@H](c1ccccc1)n1cnc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HDAC8 Q9BY41 1/20 0.43
APAF1 O14727 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.39
FDPS P14324 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.37
USP5 P45974 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL12380647 0.84 HSD17B10 (0.50) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL2296208 0.82 HPGD (0.55) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL2292402 0.78 KDM4E (0.46) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL2292744 0.76 ALDH1A1 (0.46) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL2294495 0.75 HPGD (0.47) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL12419714 0.75 HPGD (0.64) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL2295302 0.75 MEN1 (0.48) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL2298664 0.74 HSD17B10 (0.53) HSD17B10MEN1HPGDKMT2AHDAC8
SCHEMBL2295162 0.74 FGFR1 (0.42) HSD17B10MEN1HPGDKMT2AALDH1A1
SCHEMBL4067156 0.74 KMT2A (0.44) HSD17B10MEN1HPGDKMT2AALDH1A1

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
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed