SCHEMBL6568159

SCHEMBL6568159

COC(=O)c1ccc(C=Cc2ccc(C=Cc3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.58
ALDH1A1 P00352 3/20 0.56
P4HB P07237 1/20 0.53
MAPT P10636 6/20 0.51
LMNA P02545 4/20 0.51
NPC1 O15118 3/20 0.51
HDAC2 Q92769 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 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
SCHEMBL7393 0.89 CA1 (0.57) ALDH1A1MAPTPOLBRXFP1CA1
Charcoal, Activated SCHEMBL31430427 0.88 CA1 (0.55) ALDH1A1MAPTPOLBRXFP1MEN1
SCHEMBL31301140 0.86 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL2627847 0.86 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL5379059 0.86 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL71402 0.86 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL71401 0.86 PTPN1 (0.73) PTPN1ALDH1A1MAPTLMNANPC1
SCHEMBL7401479 0.84 CA1 (0.53) PTPN1MAPTL3MBTL1POLBRXFP1
SCHEMBL20764570 0.84 PTPN11 (0.59) ALDH1A1MAPTPOLBRXFP1CA1
SCHEMBL13063631 0.84 CA1 (0.53) PTPN1MAPTL3MBTL1POLBRXFP1

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
US-6727318-B1 EMULSION POLYMERIZATION OF ETHYLENICALLY UNSATURATED AND DYE-COMPRISING MONOMERS IN PRESENCE OF FREE-RADICAL INITIATORS BASF AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed
EP-1054907-B1 METHOD FOR PRODUCING AQUEOUS POLYMER DISPERSIONS CONTAINING COLORANTS BASF AG (DE) 2004-04-14 EP disclosed
EP-1054907-A2 METHOD FOR PRODUCING AQUEOUS POLYMER DISPERSIONS CONTAINING COLORANTS BASF AKTIENGESELLSCHAFT (DE) 2000-11-29 EP disclosed
WO-1999040123-A2 METHOD FOR PRODUCING AQUEOUS POLYMER DISPERSIONS CONTAINING COLORANTS BASF AKTIENGESELLSCHAFT (DE) 1999-08-12 WO disclosed