SCHEMBL9798133

SCHEMBL9798133

O=C(CCl)Nc1ccc(C(c2ccc(NC(=O)CCl)cc2)c2ccc(NC(=O)CCl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MITF O75030 2/20 0.61
XBP1 P17861 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
NOD2 Q9HC29 1/20 0.61
ALDH1A1 P00352 8/20 0.59
SMN1; SMN2 Q16637 8/20 0.59
HTT P42858 5/20 0.59
PRMT1 Q99873 1/20 0.59
MAPT P10636 6/20 0.55
KMT2A Q03164 5/20 0.55
LMNA P02545 4/20 0.55
MEN1 O00255 3/20 0.54
KDM4E B2RXH2 2/20 0.54
RNF4 P78317 1/20 0.54
CASP3 P42574 2/20 0.50
CASP2 P42575 1/20 0.50
HPGD P15428 3/20 0.47
OPRM1 P35372 1/20 0.47

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
SCHEMBL9081388 0.87 NPC1 (0.76) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL5324688 0.85 SMN1; SMN2 (0.65) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL6287639 0.80 CA1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2635734 0.79 NPC1 (0.66) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL16922181 0.79 NPC1 (0.66) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL1503954 0.79 NPC1 (0.66) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL14003727 0.78 TSHR (0.70) RAB9AALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL2320435 0.78 NPC1 (0.63) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL5903996 0.78 ALDH1A1 (0.67) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL1193345 0.78 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217256-B1 METHOD FOR QUENCHING FLUORESCENCE, AND CATIONIC DERIVATIVES OF NAPHTHALENE-PERI-DICARBOXAMIDE BAYER AG (DE) 1991-03-06 EP disclosed
EP-0163854-B1 PROCESS FOR THE ELIMINATION OF FLUORESCENCE AND CATIONIC OR AMPHOTERIC AROMATIC NITRO COMPOUNDS BAYER AG (DE) 1991-02-27 EP disclosed
US-4919848-A Process for the quenching of fluorescence, and new cationic naphthalene-peri-dicarboxylic acid imide derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-04-24 US disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0217256-A2 Method for quenching fluorescence, and cationic derivatives of naphthalene-peri-dicarboxamide BAYER AG (DE) 1987-04-08 EP disclosed
EP-0163854-A2 Process for the elimination of fluorescence and cationic or amphoteric aromatic nitro compounds BAYER AG (DE) 1985-12-11 EP disclosed