SCHEMBL9832153

SCHEMBL9832153

O=C(CCl)NNC(=O)CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
TSHR P16473 1/20 0.44
HTT P42858 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
AGTR1 P30556 1/20 0.39
RAB9A P51151 5/20 0.36
NPC1 O15118 3/20 0.36
MITF O75030 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
XBP1 P17861 1/20 0.36
NOD2 Q9HC29 1/20 0.36
PRMT1 Q99873 1/20 0.34
LMNA P02545 2/20 0.34
EGFR P00533 1/20 0.32
JAK2 O60674 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL4964578 0.87
SCHEMBL10189844 0.85
SCHEMBL8139560 0.81 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TSHRHTTMAPT
SCHEMBL726450 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTMAPTKDM4E
SCHEMBL1067952 0.79 CYP1A2 (0.39) ALDH1A1SMN1; SMN2HTTMAPTKDM4E
SCHEMBL1935273 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRHTTMAPT
SCHEMBL6774860 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HTTMAPTKDM4E
SCHEMBL14067639 0.75 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2HTTMAPTKDM4E
SCHEMBL9736805 0.74
SCHEMBL3966474 0.74

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 4 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
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
EP-0217256-A2 Method for quenching fluorescence, and cationic derivatives of naphthalene-peri-dicarboxamide BAYER AG (DE) 1987-04-08 EP disclosed
US-4128538-A Crosslinking polymeric dye mordant composition reaction product of bisalkane or bisarene sulfonate and vinyl polymer EASTMAN KODAK COMPANY (US) 1978-12-05 US disclosed