SCHEMBL14650641

SCHEMBL14650641

CC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(Cc1ccccc1)C5=O)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(Cc1ccccc1)C5=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ RGS12 O14924 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CASP3 P42574 2/20 0.46
▸ HPGD P15428 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ TERT O14746 2/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL14650630 0.88 CYP1B1 (0.49) TDP1MEN1KMT2ACYP1B1MAPT
SCHEMBL14650611 0.85 CYP1B1 (0.52) TDP1MEN1KMT2ARECQLCYP1B1
SCHEMBL14650522 0.84 MEN1 (0.38) TDP1MEN1KMT2ARECQLCYP1B1
SCHEMBL14650595 0.83 KDM4E (0.47) TDP1MEN1KMT2ARECQLCYP1B1
SCHEMBL8680716 0.83 NPSR1 (0.65) MEN1KMT2ARECQLCYP1B1RGS12
SCHEMBL14650634 0.82 TDP1 (0.43) TDP1MEN1KMT2ARECQLUSP2
SCHEMBL14650703 0.80 TDP1 (0.41) TDP1MEN1KMT2ARECQLUSP2
SCHEMBL14650604 0.79 TERT (0.42) MEN1KMT2ACYP1B1LMNAMAPT
SCHEMBL14650588 0.79 STAT3 (0.51) TDP1MEN1KMT2ARECQLRGS12
SCHEMBL14650638 0.79 PDE6D (0.41) TDP1MEN1KMT2ARECQLUSP2

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 3 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-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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