SCHEMBL9081388

SCHEMBL9081388

O=C(CCl)Nc1ccc(NC(=O)CCl)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.76
RAB9A P51151 3/20 0.76
MITF O75030 2/20 0.76
XBP1 P17861 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
NOD2 Q9HC29 1/20 0.76
ALDH1A1 P00352 9/20 0.73
SMN1; SMN2 Q16637 8/20 0.73
HTT P42858 6/20 0.73
PRMT1 Q99873 1/20 0.73
MAPT P10636 6/20 0.66
KMT2A Q03164 5/20 0.66
LMNA P02545 4/20 0.66
MEN1 O00255 3/20 0.66
KDM4E B2RXH2 2/20 0.66
RNF4 P78317 1/20 0.66
CASP3 P42574 2/20 0.59
CASP2 P42575 1/20 0.59
HPGD P15428 2/20 0.56
OPRM1 P35372 1/20 0.56

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
SCHEMBL1503954 0.91 NPC1 (0.66) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL2635734 0.91 NPC1 (0.66) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL16922181 0.91 NPC1 (0.66) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL916728 0.89 POLB (0.73) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL7800005 0.89 NPC1 (0.63) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL1193345 0.89 NPC1 (0.63) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL1707504 0.89 RAB9A (0.63) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL2320435 0.89 NPC1 (0.63) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL5903996 0.89 ALDH1A1 (0.67) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL11128513 0.89 NPC1 (0.63) NPC1RAB9AMITFXBP1NPSR1

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
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed
WO-1996026922-A1 NOVEL SULPHONAMIDE BI-TRYPTAMINE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE OF SAID DERIVATIVES AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-09-06 WO disclosed
WO-1996026923-A1 NOVEL BI-TRYPTAMINIC DERIVATIVES, PREPARATION PROCESS AND UTILIZATION AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-09-06 WO disclosed