SCHEMBL30198331

SCHEMBL30198331

Cc1cnccc1NC(=O)c1c(O)c2ccccc2n(CC(C)C)c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.73
ALOX15 P16050 1/20 0.73
MEN1 O00255 8/20 0.64
KMT2A Q03164 8/20 0.64
HTT P42858 7/20 0.64
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 5/20 0.64
LMNA P02545 5/20 0.64
USP2 O75604 2/20 0.64
TSHR P16473 2/20 0.64
GAA P10253 1/20 0.64
SMN1; SMN2 Q16637 7/20 0.60
HPGD P15428 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
NPSR1 Q6W5P4 3/20 0.59
HSD17B10 Q99714 1/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
NOD1 Q9Y239 3/20 0.55
XBP1 P17861 3/20 0.55

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
SCHEMBL24054921 1.00 HSP90AA1 (0.73) HSP90AA1ALOX15MEN1KMT2AHTT
SCHEMBL24054900 0.92 HSP90AA1 (0.73) HSP90AA1ALOX15MEN1KMT2AHTT
SCHEMBL24054520 0.91 HSP90AA1 (0.74) HSP90AA1ALOX15MEN1KMT2AHTT
SCHEMBL24054522 0.89 HSP90AA1 (0.74) HSP90AA1ALOX15MEN1KMT2AHTT
SCHEMBL30198371 0.88 KDM4E (0.78) HSP90AA1ALOX15MEN1KMT2AHTT
SCHEMBL24054514 0.88 KDM4E (0.78) HSP90AA1ALOX15MEN1KMT2AHTT
SCHEMBL25720447 0.85 HSP90AA1 (1.00) HSP90AA1ALOX15MEN1KMT2AHTT
SCHEMBL25722601 0.84 HSP90AA1 (0.79) HSP90AA1ALOX15MEN1KMT2AHTT
SCHEMBL30198547 0.83 MEN1 (0.71) HSP90AA1ALOX15MEN1KMT2AHTT
SCHEMBL24054548 0.83 MEN1 (0.71) HSP90AA1ALOX15MEN1KMT2AHTT

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-4153576-A1 NOTCH INHIBITORS AND USES THEREOF StemSynergy Therapeutics, Inc. (US) 2023-03-29 EP disclosed
CN-115836056-A NOTCH inhibitors and uses thereof STEMSYNERGY疗法有限责任公司 2023-03-21 CN disclosed