SCHEMBL6974905

SCHEMBL6974905

Cc1nc2c(C)c(C(=O)c3cnn(C(C)C)c3O)ccc2s1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 7/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
BLM P54132 1/20 0.31
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6982357 0.84 MGLL (0.37) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL6976310 0.84 MAPT (0.31) MAPTPPARGNCOA2NCOA1NCOA3
SCHEMBL6979990 0.81 MALT1 (0.32)
SCHEMBL6984929 0.73 GAA (0.33)
SCHEMBL6983756 0.73 MAPT (0.36) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL10671822 0.72 FPR1 (0.34)
SCHEMBL7088309 0.71 MAPT (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7157976 0.69 MAPT (0.32) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL10669614 0.67 FPR1 (0.32)
SCHEMBL9076076 0.67 FPR1 (0.32) NPC1RAB9AKMT2AMAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177194-B1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AG (DE) 2003-09-17 EP disclosed
US-6541423-B1 Controlling vegatation BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed