SCHEMBL10696923

SCHEMBL10696923

CCc1nc(CC)nc(-c2cccc(-c3ccccc3)n2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
RAB9A P51151 2/20 0.57
ASIC3 Q9UHC3 1/20 0.44
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TRPV3 Q8NET8 1/20 0.36

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
SCHEMBL28827877 0.81 L3MBTL1 (0.52) MEN1KMT2ARAB9AMAPTPOLB
SCHEMBL11978708 0.77 L3MBTL1 (0.58) MEN1KMT2ARAB9AALDH1A1MAPT
Bromide SCHEMBL10757159 0.76 MEN1 (0.89) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL58442 0.76 MEN1 (1.00) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL19910461 0.76 KMT2A (0.64) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL10698565 0.76 KMT2A (0.64) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL17467256 0.75 PDE4B (0.43) PDE4BPDE4D
SCHEMBL18212413 0.75 MEN1 (0.70) MEN1KMT2ARAB9AASIC3ALDH1A1
SCHEMBL12939255 0.75 MEN1 (0.54) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL17701360 0.74 MEN1 (0.68) MEN1KMT2ARAB9AASIC3ALDH1A1

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
EP-0278610-A2 Novel pyridinyl-s-triazine derivatives, method for production thereof and a fungicide containing them as the active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-17 EP claimed