SCHEMBL7801121

SCHEMBL7801121

CCN(CC)c1ccc2c(c1)OC(=C1OC(=O)c3ccc(N(CC)CC)cc31)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
HPGD P15428 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
MAPT P10636 5/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPK1 P28482 4/20 0.46
MAOB P27338 1/20 0.44
CASP1 P29466 4/20 0.42
CASP7 P55210 4/20 0.42
GLA P06280 3/20 0.42
ATM Q13315 3/20 0.42
CYP3A4 P08684 2/20 0.42
IGLV6-57 P01721 2/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 5/20 0.40
HTT P42858 4/20 0.40
TP53 P04637 2/20 0.40
BRCA1 P38398 2/20 0.40

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
SCHEMBL7803302 1.00 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL7802429 1.00 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL7801117 0.91 MAOB (0.49) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL7801115 0.91 MAOB (0.49) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL7802423 0.91 MAOB (0.49) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL7799407 0.89 IGLV6-57 (0.40) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL7799210 0.89 IGLV6-57 (0.40) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL8060265 0.89 IGLV6-57 (0.40) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL7803356 0.87 AR (0.39) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL7801109 0.87 AR (0.39) ALDH1A1MEN1KMT2AHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900255-B1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS CIBA SC HOLDING AG (CH) 2001-12-19 EP disclosed
US-6156914-A Donor-substituted oxindigo derivatives and their use as colorants CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-05 US disclosed
EP-0900255-A1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS Ciba SC Holding AG (CH) 1999-03-10 EP disclosed
WO-1997041176-A1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-11-06 WO disclosed