SCHEMBL7793554

SCHEMBL7793554

CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc2c(c1)OC(=C1OC(=O)c3ccc(N(CCCCCCCCCCCC)CCCCCCCCCCCC)cc31)C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
CASP7 P55210 1/20 0.37
AR P10275 1/20 0.35
CNR2 P34972 5/20 0.34
SRC P12931 2/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAOB P27338 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7799398 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL7793573 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL7793702 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL7793665 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL7801136 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL7799226 1.00 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL7803351 0.99 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL7793602 0.99 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL7799217 0.99 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL7801109 0.95 AR (0.39) ALDH1A1MEN1KMT2AHPGDTDP1

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