SCHEMBL8097547

SCHEMBL8097547

CC(=O)CNc1nc(NC(C)CCc2ccccc2)nc(C(C)(C)F)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.43
SCN9A Q15858 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
HSP90AA1 P07900 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 1/20 0.39
KCNH3 Q9ULD8 1/20 0.38

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
SCHEMBL7978055 0.87 NPR3 (0.44) SIRT5SCN9ASMN1; SMN2KMT2AMEN1
SCHEMBL8096395 0.83 SIRT5 (0.42) SIRT5SCN9ASMN1; SMN2KMT2AMEN1
SCHEMBL8097539 0.83 ADORA3 (0.43) SIRT5SCN9ASMN1; SMN2KMT2AMEN1
SCHEMBL7978040 0.79 HTR7 (0.46) SCN9ASMN1; SMN2KMT2AMEN1HTT
SCHEMBL8101266 0.79 HTR7 (0.46) SCN9ASMN1; SMN2KMT2AMEN1HTT
SCHEMBL7978091 0.75 SCN9A (0.44) SCN9ASMN1; SMN2KMT2AMEN1HTT
SCHEMBL7960038 0.71 SCN9A (0.41) SIRT5SCN9AALDH1A1
SCHEMBL7956751 0.69 KCNH2 (0.38) SIRT5SCN9AKMT2AMEN1POLB
SCHEMBL6246350 0.68 HTR7 (0.44) SCN9ASMN1; SMN2KMT2AMEN1HTT
SCHEMBL7964656 0.68 ALDH1A1 (0.46) SIRT5SCN9ASMN1; SMN2KMT2AMEN1

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-1060170-A1 OPTICALLY ACTIVE SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES AS HERBICIDES Bayer Aktiengesellschaft (DE) 2000-12-20 EP disclosed
WO-1999044999-A1 OPTICALLY ACTIVE SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-09-10 WO disclosed