SCHEMBL7108471

SCHEMBL7108471

COC(=O)c1ccccc1NC(=O)CCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
KMT2A Q03164 3/20 0.69
ALDH1A1 P00352 7/20 0.68
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
TSHR P16473 2/20 0.62
LMNA P02545 1/20 0.62
HSD17B10 Q99714 3/20 0.62
MAPK10 P53779 2/20 0.62
GAA P10253 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.59
HCAR2 Q8TDS4 3/20 0.59
HPGD P15428 1/20 0.58

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
SCHEMBL22497429 0.86 KDM4E (0.74) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL30522452 0.86 KDM4E (0.74) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL13936057 0.85 KDM4E (0.74) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL31324947 0.85 KDM4E (0.74) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL14426829 0.85 KDM4E (0.74) KDM4EKMT2AALDH1A1TSHRHSD17B10
SCHEMBL10497116 0.84 HCAR2 (0.78) KDM4ENPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL15649049 0.84 KDM4E (0.72) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL14227308 0.84 KDM4E (0.72) KDM4EKMT2AALDH1A1TSHRLMNA
SCHEMBL9973826 0.83 KDM4E (0.70) KDM4EKMT2AALDH1A1TSHRLMNA
SCHEMBL10502377 0.82 KMT2A (1.00) KDM4EKMT2AALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109748910-B Quinazolinone compound, preparation method and medical application thereof 徐州医科大学 2021-04-30 CN disclosed
CN-109748910-A A kind of quianzolinones, preparation method and medical usage 徐州医科大学 2019-05-14 CN disclosed
EP-1439834-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-07-28 EP disclosed
WO-2003037328-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-05-08 WO disclosed
US-4994493-A Treatment of cerebral edema MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1991-02-19 US disclosed