SCHEMBL3966650

SCHEMBL3966650

CCCCCCCCCCCCCCC(=NO)C(c1ccccn1)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ CYP1A2 P05177 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ KCNA5 P22460 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ FAAH O00519 2/20 0.40
▸ CES1 P23141 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ MGLL Q99685 1/20 0.39

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
SCHEMBL1027788 0.80 LMNA (0.43) LMNAKDM4EHTTSMN1; SMN2USP2
SCHEMBL1026829 0.79 CYP1A2 (0.56) LMNAKDM4EHTTSMN1; SMN2USP2
SCHEMBL1027263 0.79 TOP2A (0.46) LMNAKDM4EHTTSMN1; SMN2USP2
SCHEMBL1027939 0.78 LMNA (0.41) LMNAKDM4EHTTSMN1; SMN2USP2
SCHEMBL1028980 0.78 TOP2A (0.51) LMNAKDM4EHTTSMN1; SMN2USP2
SCHEMBL1025805 0.78 SMN1; SMN2 (0.46) LMNAKDM4EHTTSMN1; SMN2USP2
SCHEMBL1029009 0.76 LMNA (0.40) LMNAKDM4EHTTSMN1; SMN2USP2
SCHEMBL1026536 0.76 NAAA (0.45) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL1027198 0.76 MAPT (0.45) LMNAKDM4EHTTSMN1; SMN2NPC1
SCHEMBL1025204 0.75 MAPT (0.47) LMNAKDM4EHTTSMN1; SMN2USP2

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
EP-1660232-B1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF TOTAL RAFFINAGE MARKETING (FR) 2009-07-22 — — EP disclosed
EP-1660232-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF Total France (FR) 2006-05-31 — — EP disclosed
WO-2005016518-A1 HYDROTREATING AND/OR HYDROCRACKING CATALYST OF HYDROCARBONS AND PREPARATION THEREOF TOTAL FRANCE (FR) 2005-02-24 — — WO disclosed
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