SCHEMBL8175754

SCHEMBL8175754

CC(NC(=N)NC(=N)N)c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
GAA P10253 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASR P41180 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL10480454 0.75 LOXL2 (0.57) ALOX5LOXL2HPGDTSHRALOX15
SCHEMBL8069879 0.74 ALOX5 (0.52) ALOX5LOXL2HPGDTSHRALOX15
SCHEMBL27847273 0.72 HPGD (0.51) ALOX5LOXL2HPGDTSHRALOX15
Hydrochloric Acid SCHEMBL4491421 0.71 ALOX5 (0.49) ALOX5LOXL2HPGDTSHRALOX15
SCHEMBL8069877 0.71 ALOX5 (0.55) ALOX5LOXL2HPGDTSHRALOX15
SCHEMBL874296 0.70 HDAC3 (0.47) HPGDNPC1LMNAALDH1A1MAPT
SCHEMBL7716515 0.70 HDAC3 (0.47) HPGDNPC1LMNAALDH1A1MAPT
SCHEMBL12085830 0.70 HPGD (0.64) ALOX5LOXL2HPGDTSHRALOX15
SCHEMBL17947424 0.70 HPGD (0.64) ALOX5LOXL2HPGDTSHRALOX15
SCHEMBL5968633 0.70 LOXL2 (0.67) ALOX5LOXL2HPGDTSHRALOX15

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-2000047579-A1 SUBSTITUTED BENZTHIAZOLYLALKYLAMINO-1,3,5-TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-08-17 WO disclosed