SCHEMBL14650728

SCHEMBL14650728

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 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
▸ AR P10275 1/20 0.37
▸ CYP1A2 P05177 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ GALR3 O60755 6/20 0.34
▸ MAPT P10636 1/20 0.33
▸ DRD5 P21918 1/20 0.33

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
SCHEMBL14650627 0.92 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL14650677 0.88 KMT2A (0.38) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL14650721 0.83 KMT2A (0.34) RAB9ASMN1; SMN2HTTMEN1KMT2A
SCHEMBL14650706 0.82 MCHR1 (0.37) RAB9ASMN1; SMN2HTTMEN1KMT2A
SCHEMBL14650555 0.81 NPC1 (0.36) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL14650694 0.79 POLB (0.43) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL14268831 0.79 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL14650697 0.78 ESR1 (0.32) KMT2A
SCHEMBL14650634 0.78 TDP1 (0.43) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL14650718 0.77 CA12 (0.35) MEN1KMT2AKDM4EALDH1A1HPGD

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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