SCHEMBL17950436

SCHEMBL17950436

O=c1c2ccc(Cl)cc2nnn1CCCBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
KMO O15229 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
SCHEMBL17950590 0.83 SMN1; SMN2 (0.44) GPR139NPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL28488673 0.80 GPR139 (0.42) GPR139KMT2AALDH1A1MEN1
SCHEMBL5816179 0.80 KMT2A (0.68) NPC1SMN1; SMN2MAPTRAB9AKMT2A
SCHEMBL17950528 0.80 NPC1 (0.43) GPR139NPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL17950516 0.79 TDP1 (0.45) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL17766913 0.77 GPR139 (0.60) GPR139NPC1SMN1; SMN2MAPTRAB9A
SCHEMBL30557834 0.77 GPR139 (0.60) GPR139NPC1SMN1; SMN2MAPTRAB9A
SCHEMBL17950503 0.76 KMT2A (0.40) KMT2AALDH1A1MEN1HTT
SCHEMBL17950510 0.76 GPR139 (0.51) GPR139NPC1SMN1; SMN2MAPTRAB9A
SCHEMBL17950509 0.76 TDP1 (0.42) SMN1; SMN2MAPTKMT2AALDH1A1MEN1

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
CN-104530037-B Triazine heterocyclic compound with nematicidal activity and preparation method and application thereof 华东理工大学 2020-12-18 CN disclosed
WO-2016116058-A1 TRIAZINE HETEROCYCLIC COMPOUND WITH NEMATICIDAL ACTIVITY AND PREPARATION METHOD THEREFOR AND USAGE THEREOF 华东理工大学 2016-07-28 WO disclosed