SCHEMBL14650638

SCHEMBL14650638

CC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(-c2ccccc2)cc1)C5=O)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(-c2ccccc2)cc1)C5=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ FAAH O00519 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ POLB P06746 4/20 0.38
▸ USP2 O75604 2/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CDC25A P30304 1/20 0.36

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
SCHEMBL14650634 0.93 TDP1 (0.43) TDP1PLA2G1BATG4BKMT2APOLB
SCHEMBL14650706 0.91 MCHR1 (0.37) PDE6DMCHR1TDP1PLA2G1BATG4B
SCHEMBL14650703 0.89 TDP1 (0.41) TDP1PLA2G1BATG4BKMT2APOLB
SCHEMBL14650653 0.89 MGLL (0.43) MCHR1TDP1PLA2G1BATG4BKMT2A
SCHEMBL14650558 0.85 MCHR1 (0.41) PDE6DMCHR1TDP1PLA2G1BATG4B
SCHEMBL14650677 0.83 KMT2A (0.38) TDP1PLA2G1BATG4BKMT2APOLB
SCHEMBL14650625 0.82 CA2 (0.60) CA12CA1CA2CA9
SCHEMBL14650641 0.79 TDP1 (0.48) TDP1KMT2AUSP2MEN1ALDH1A1
SCHEMBL14650721 0.78 KMT2A (0.34) TDP1PLA2G1BATG4BKMT2AMGLL
SCHEMBL14650621 0.78 POLB (0.50) TDP1KMT2APOLBUSP2MEN1

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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