SCHEMBL6288073

SCHEMBL6288073

COc1cc(NCCCC(C)N)c2nc(C3CCCCC3)ccc2c1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 4/20 0.43
HSP90AB1 P08238 4/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP2 O95551 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FGB P02675 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
NR4A1 P22736 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4727652 0.91 MEN1 (0.43) MEN1KMT2AHSP90AA1HSP90AB1KDM4E
SCHEMBL6274409 0.85 MEN1 (0.55) MEN1KMT2AHSP90AA1HSP90AB1KDM4E
SCHEMBL4725463 0.84 MEN1 (0.56) MEN1KMT2AHSP90AA1HSP90AB1KDM4E
SCHEMBL5084097 0.81 MAOA (0.43) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT
SCHEMBL4726521 0.80 MAOA (0.44) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT
SCHEMBL4729342 0.75 PDE3B (0.39) KDM4EALDH1A1RAB9ANSD2CASP6
SCHEMBL4726151 0.73 PDE3B (0.40) KDM4EALDH1A1TSHRRAB9ANSD2
SCHEMBL5083233 0.72 HSP90AA1 (0.49) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT
SCHEMBL6268701 0.72 MEN1 (0.49) MEN1KMT2AHSP90AA1HSP90AB1KDM4E
SCHEMBL4726086 0.71 MEN1 (0.48) MEN1KMT2AHSP90AA1HSP90AB1KDM4E

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-1606263-A1 RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS Council of Scientific and Industrial Research (IN) 2005-12-21 EP disclosed
WO-2004085402-A1 RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 WO disclosed