SCHEMBL14650627

SCHEMBL14650627

CC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1cccc(C(F)(F)F)c1)C5=O)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1cccc(C(F)(F)F)c1)C5=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ AR P10275 1/20 0.41
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ USP2 O75604 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL14650728 0.92 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL14650555 0.86 NPC1 (0.36) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL14268831 0.84 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL14650634 0.83 TDP1 (0.43) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL14650703 0.80 TDP1 (0.41) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL5530144 0.79 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL14650638 0.77 PDE6D (0.41) SMN1; SMN2HTTMEN1KMT2AKDM4E
SCHEMBL14650677 0.77 KMT2A (0.38) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL14650653 0.75 MGLL (0.43) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL5021832 0.75 MEN1 (0.56) NPC1RAB9ASMN1; SMN2LMNAHTT

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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