SCHEMBL7706701

SCHEMBL7706701

C=CCON1C(=O)c2ccc(N3CCCC3)c3cc(C)cc(c23)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
MAPK1 P28482 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
AVPR1A P37288 1/20 0.41
BRD1 O95696 5/20 0.39
BRPF1 P55201 5/20 0.39
BRD4 O60885 2/20 0.39
TAF1 P21675 4/20 0.38
HTT P42858 5/20 0.36
USP2 O75604 3/20 0.36
TLR9 Q9NR96 3/20 0.36
TNNI3 P19429 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
SCHEMBL7709710 0.87 MEN1 (0.47) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7706707 0.78 ALDH1A1 (0.45) MEN1KMT2AMAPK1TDP1ALDH1A1
SCHEMBL7703800 0.77 KMT2A (0.45) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7703708 0.72 ALDH1A1 (0.44) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7703705 0.70 ALDH1A1 (0.37) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL8580196 0.70 TDP1 (0.44) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL28278092 0.69 MEN1 (0.67) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7706694 0.67 MEN1 (0.44) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7703821 0.65 MEN1 (0.58) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7972269 0.65 KMT2A (0.46) MEN1KMT2AMAPK1CRHBPCRHR2

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
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-6177423-B1 N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US disclosed