SCHEMBL22925046

SCHEMBL22925046

Clc1ccc(N/N=C/c2ccccc2Br)nn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.70
NPC1 O15118 8/20 0.70
LMNA P02545 3/20 0.70
KDM4E B2RXH2 2/20 0.70
KMT2A Q03164 13/20 0.63
MEN1 O00255 10/20 0.63
POLB P06746 6/20 0.63
GAA P10253 6/20 0.63
KLF5 Q13887 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 5/20 0.58
HTT P42858 3/20 0.58
TP53 P04637 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
BLM P54132 1/20 0.57
CASP6 P55212 1/20 0.57
ALDH1A1 P00352 2/20 0.55
AGTR1 P30556 1/20 0.48

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
SCHEMBL11279464 0.78 RAB9A (0.72) RAB9ANPC1LMNAKDM4EKMT2A
SCHEMBL11279469 0.78 RAB9A (0.72) RAB9ANPC1LMNAKDM4EKMT2A
SCHEMBL1164784 0.73 MEN1 (0.68) RAB9ANPC1LMNAKDM4EKMT2A
SCHEMBL6714499 0.73 RAB9A (0.58) RAB9ANPC1LMNAKDM4EKMT2A
SCHEMBL6714502 0.73 RAB9A (0.58) RAB9ANPC1LMNAKDM4EKMT2A
SCHEMBL1164785 0.73 MEN1 (0.68) RAB9ANPC1LMNAKDM4EKMT2A
SCHEMBL2491877 0.71 KMT2A (0.68) RAB9ANPC1LMNAKDM4EKMT2A
SCHEMBL2491876 0.71 KMT2A (0.68) RAB9ANPC1LMNAKDM4EKMT2A
SCHEMBL11833203 0.71 RAB9A (0.55) RAB9ANPC1LMNAKDM4EKMT2A
SCHEMBL11833207 0.71 RAB9A (0.55) RAB9ANPC1LMNAKDM4EKMT2A

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