SCHEMBL29930564

SCHEMBL29930564

COc1ccccc1-c1nc(CNC(=O)c2cccnc2OC(F)F)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK8 P45983 3/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL23611728 1.00 ALOX15 (0.43) ALOX15HSD17B10LMNAMAPTKDM4E
SCHEMBL23611715 0.91 LMNA (0.44) LMNAMAPTKDM4ENPSR1MAPK8
SCHEMBL29930983 0.91 LMNA (0.44) LMNAMAPTKDM4ENPSR1MAPK8
SCHEMBL29930729 0.89 ALOX15 (0.47) ALOX15HSD17B10MAPTPOLBHPGD
SCHEMBL23611755 0.89 ALOX15 (0.47) ALOX15HSD17B10MAPTPOLBHPGD
SCHEMBL23623493 0.88 ALOX15 (0.44) ALOX15HSD17B10LMNAMAPTKDM4E
SCHEMBL23611788 0.84 ALOX15 (0.43) ALOX15HSD17B10MAPTPOLBHPGD
SCHEMBL23623309 0.84 ALOX15 (0.43) ALOX15HSD17B10LMNAMAPTPOLB
SCHEMBL23611738 0.83 ALOX15 (0.44) ALOX15HSD17B10LMNAMAPTNPSR1
SCHEMBL23758245 0.82 MAPT (0.43) ALOX15HSD17B10LMNAMAPTPOLB

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
EP-4085056-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER Berg LLC (US) 2022-11-09 EP disclosed
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed