SCHEMBL7709710

SCHEMBL7709710

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.47
KMT2A Q03164 10/20 0.47
MAPK1 P28482 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 7/20 0.45
MAPT P10636 6/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
AVPR1A P37288 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
USP2 O75604 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 4/20 0.36
TLR9 Q9NR96 2/20 0.36
TNNI3 P19429 1/20 0.36
TNNT2 P45379 1/20 0.36
TNNC1 P63316 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
SCHEMBL7706701 0.87 MEN1 (0.47) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7706694 0.81 MEN1 (0.44) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL8580196 0.81 TDP1 (0.44) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7709778 0.78 ALDH1A1 (0.45) MEN1KMT2AMAPK1TDP1ALDH1A1
SCHEMBL7709788 0.77 KMT2A (0.47) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7709659 0.76 KMT2A (0.49) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL12415529 0.74 ALDH1A1 (0.66) MEN1KMT2AALDH1A1NPC1POLB
SCHEMBL7703708 0.72 ALDH1A1 (0.44) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL7703705 0.68 ALDH1A1 (0.37) MEN1KMT2AMAPK1CRHBPCRHR2
SCHEMBL28278092 0.67 MEN1 (0.67) 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