SCHEMBL14650703

SCHEMBL14650703

CC(COCC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccccc1)C5=O)COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccccc1)C5=O)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccccc1)C5=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ USP2 O75604 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ PLA2G1B P04054 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37

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 0.96 TDP1 (0.43) TDP1KMT2AUSP2MEN1ALDH1A1
SCHEMBL14650638 0.89 PDE6D (0.41) TDP1KMT2AUSP2MEN1ALDH1A1
SCHEMBL14650653 0.87 MGLL (0.43) TDP1KMT2AUSP2MEN1ALDH1A1
SCHEMBL14650677 0.86 KMT2A (0.38) TDP1KMT2AUSP2MEN1ALDH1A1
SCHEMBL14650706 0.81 MCHR1 (0.37) TDP1KMT2AUSP2MEN1ALDH1A1
SCHEMBL14650542 0.81 ALDH1A1 (0.36) TDP1KMT2AUSP2MEN1ALDH1A1
SCHEMBL14650625 0.81 CA2 (0.60) —
SCHEMBL14650627 0.80 NPC1 (0.42) KMT2AUSP2MEN1ALDH1A1KDM4E
SCHEMBL14650550 0.80 ALDH1A1 (0.35) TDP1KMT2AUSP2MEN1ALDH1A1
SCHEMBL14650641 0.80 TDP1 (0.48) TDP1KMT2AUSP2MEN1ALDH1A1

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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