SCHEMBL7978055

SCHEMBL7978055

CC(=O)Nc1nc(NC(C)CCc2ccccc2)nc(C(C)(C)F)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 1/20 0.44
SCN9A Q15858 1/20 0.44
ACHE P22303 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
EPHX2 P34913 1/20 0.42
POLB P06746 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL8097539 0.89 ADORA3 (0.43) SCN9ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8097547 0.87 SIRT5 (0.43) SCN9ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7978040 0.81 HTR7 (0.46) SCN9ASMN1; SMN2MEN1KMT2AHTT
SCHEMBL8101266 0.81 HTR7 (0.46) SCN9ASMN1; SMN2MEN1KMT2AHTT
SCHEMBL7978091 0.77 SCN9A (0.44) SCN9AACHESMN1; SMN2MEN1KMT2A
SCHEMBL6262929 0.74 POLB (0.35) NPR3RAB9APOLBALDH1A1GAA
SCHEMBL8096382 0.73 SCN9A (0.42) SCN9ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8096388 0.73 SCN9A (0.42) SCN9ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7960038 0.72 SCN9A (0.41) SCN9ASIRT5ALDH1A1
SCHEMBL7956751 0.71 KCNH2 (0.38) SCN9AMEN1KMT2APOLBSIRT5

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
US-6271178-B1 APPLYING TO PLANTS; CONTROLLING WEEDS BAYER AG (DE) 2001-08-07 US disclosed
EP-0932605-A1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AG (DE) 1999-08-04 EP disclosed
WO-1998015538-A1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed