SCHEMBL14650612

SCHEMBL14650612

CC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1nc2ccccc2s1)C5=O)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1nc2ccccc2s1)C5=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ KAT2A Q92830 1/20 0.37
▸ KAT2B Q92831 1/20 0.37
▸ RAB9A P51151 6/20 0.37
▸ NPC1 O15118 5/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ AGER Q15109 1/20 0.37
▸ POLB P06746 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL14650684 0.92 MAPT (0.41) MAPTKAT2AKAT2BRAB9ANPC1
SCHEMBL14650525 0.86 MAPT (0.36) MAPTKAT2AKAT2BRAB9ANPC1
SCHEMBL21477325 0.84 KAT2A (0.49) MAPTKAT2AKAT2BRAB9ANPC1
SCHEMBL21480878 0.80 NPC1 (0.52) MAPTKAT2AKAT2BRAB9ANPC1
SCHEMBL14650634 0.78 TDP1 (0.43) MAPTRAB9ANPC1ALDH1A1POLB
SCHEMBL14650621 0.75 POLB (0.50) MAPTALDH1A1POLBKMT2ALMNA
SCHEMBL14650703 0.75 TDP1 (0.41) MAPTRAB9ANPC1ALDH1A1POLB
SCHEMBL14650638 0.74 PDE6D (0.41) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL14650653 0.72 MGLL (0.43) MAPTALDH1A1POLBKMT2ALMNA
SCHEMBL14650641 0.71 TDP1 (0.48) MAPTNPSR1ALDH1A1KMT2ALMNA

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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