SCHEMBL14650653

SCHEMBL14650653

CC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(Oc2ccccc2)cc1)C5=O)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(Oc2ccccc2)cc1)C5=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.43
▸ KMT2A Q03164 7/20 0.42
▸ LMNA P02545 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 5/20 0.38
▸ PTGES O14684 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ PLA2G1B P04054 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ USP2 O75604 2/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 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 0.91 TDP1 (0.43) KMT2ALMNATDP1MEN1PLA2G1B
SCHEMBL14650638 0.89 PDE6D (0.41) MGLLKMT2ATDP1MEN1MCHR1
SCHEMBL14650703 0.87 TDP1 (0.41) KMT2ALMNATDP1MEN1PLA2G1B
SCHEMBL14650557 0.86 MCHR1 (0.38) MGLLKMT2ALMNABRD4MEN1
SCHEMBL14650677 0.81 KMT2A (0.38) KMT2ALMNATDP1MEN1PLA2G1B
SCHEMBL14650706 0.80 MCHR1 (0.37) MGLLKMT2ATDP1MEN1MCHR1
SCHEMBL14650625 0.80 CA2 (0.60) —
SCHEMBL17281690 0.79 MGLL (0.61) MGLLKMT2ALMNABRD4MEN1
SCHEMBL14650641 0.77 TDP1 (0.48) KMT2ALMNATDP1MEN1HTT
SCHEMBL14650721 0.77 KMT2A (0.34) MGLLKMT2ATDP1MEN1PLA2G1B

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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