SCHEMBL22925048

SCHEMBL22925048

O=C(N/N=C/c1ccc(F)cc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.73
SMN1; SMN2 Q16637 6/20 0.73
NPC1 O15118 5/20 0.73
MAPT P10636 3/20 0.73
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2C19 P33261 2/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
TDP1 Q9NUW8 1/20 0.66
HTT P42858 3/20 0.61
HPGD P15428 1/20 0.61
SIRT1 Q96EB6 1/20 0.57
PSMD14 O00487 2/20 0.57
POLB P06746 2/20 0.57
KDM1A O60341 1/20 0.56
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL19283339 0.83 KDM1A (0.76) RAB9ASMN1; SMN2NPC1MAPTCYP1A2
SCHEMBL19283337 0.83 KDM1A (0.76) RAB9ASMN1; SMN2NPC1MAPTCYP1A2
SCHEMBL684894 0.82 KDM1A (0.66) RAB9ASMN1; SMN2NPC1MAPTCYP1A2
SCHEMBL17067844 0.81 MAPT (0.59) RAB9ASMN1; SMN2NPC1MAPTCYP1A2
SCHEMBL684222 0.80 KDM1A (0.71) RAB9ASMN1; SMN2NPC1HTTSIRT1
SCHEMBL22925057 0.80 NPC1 (0.78) RAB9ASMN1; SMN2NPC1MAPTCYP1A2
SCHEMBL684783 0.80 KDM1A (0.82) RAB9ASMN1; SMN2NPC1MAPTCYP1A2
SCHEMBL12443162 0.80 NPC1 (0.74) RAB9ASMN1; SMN2NPC1MAPTCYP1A2
SCHEMBL8298504 0.79 KMT2A (0.64) RAB9ASMN1; SMN2NPC1MAPTCYP1A2
SCHEMBL22925019 0.79 MAPT (0.58) RAB9ASMN1; SMN2NPC1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021012264-A1 TRIAZOLE SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2021-01-28 WO disclosed