SCHEMBL14650636

SCHEMBL14650636

CC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCN1CCOCC1)C5=O)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCN1CCOCC1)C5=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.49
▸ STAT3 P40763 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HTR1A P08908 2/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ MAOB P27338 4/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ TNFRSF1A P19438 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RAD52 P43351 1/20 0.38

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
SCHEMBL14650705 0.91 TERT (0.43) TERTSTAT3HIF1AHTR1ADRD2
SCHEMBL14650540 0.86 TERT (0.40) TERTSTAT3HIF1AHTR1ADRD2
SCHEMBL30574144 0.85 TERT (0.65) TERTSTAT3HIF1AHTR1ADRD2
SCHEMBL14650588 0.82 STAT3 (0.51) TERTSTAT3HIF1AMEN1KMT2A
SCHEMBL14650601 0.80 STAT3 (0.49) TERTSTAT3HIF1AMEN1KMT2A
SCHEMBL14650671 0.78 STAT3 (0.46) TERTSTAT3HIF1AMEN1KMT2A
SCHEMBL14650615 0.77 KDM4E (0.51) TERTSTAT3HIF1AMEN1KMT2A
SCHEMBL14650611 0.77 CYP1B1 (0.52) TERTSTAT3HIF1AMEN1KMT2A
SCHEMBL14650630 0.75 CYP1B1 (0.49) TERTSTAT3HIF1AMEN1KMT2A
SCHEMBL14650587 0.74 STAT3 (0.43) TERTSTAT3HIF1AMEN1KMT2A

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-9051468-B2 Dyes for polymer coloration, their preparation and their use CLARIANT INTERNATIONAL LTD (CH) 2015-06-09 — — US disclosed
US-20130019415-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2013-01-24 — — US disclosed
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