SCHEMBL28985641

SCHEMBL28985641

NCCN(c1ccccc1N)c1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
PRMT8 Q9NR22 2/20 0.41
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHEK1 O14757 1/20 0.33
NEK2 P51955 1/20 0.33
LIMK1 P53667 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
HTR2A P28223 2/20 0.31

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
SCHEMBL14940759 0.85 MAOA (0.38) CARM1PRMT6PRMT8CYP3A4ALOX15
SCHEMBL9320009 0.77 ADRA2C (0.42) CARM1PRMT6PRMT8HTR2A
SCHEMBL9369003 0.76 CARM1 (0.35) CARM1PRMT6PRMT8SMN1; SMN2HTR2A
SCHEMBL8651562 0.76 TAAR1 (0.43) CARM1PRMT6PRMT8CYP3A4ALOX15
SCHEMBL31314382 0.76 TAAR1 (0.43) CARM1PRMT6PRMT8CYP3A4ALOX15
SCHEMBL4601474 0.76 TAAR1 (0.43) CARM1PRMT6PRMT8CYP3A4ALDH1A1
SCHEMBL23368480 0.75 ALDH1A1 (0.36) CARM1PRMT6PRMT8CYP3A4ALOX15
SCHEMBL2898503 0.72 SIGMAR1 (0.44) CYP3A4ALDH1A1TSHRTDP1HPGD
SCHEMBL6178005 0.72 ALDH1A1 (0.39) CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL6176776 0.70 MEN1 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115957725-A Modified hollow ceramic fiber and preparation method and application thereof 中国石油化工股份有限公司 2023-04-14 CN claimed
CN-115957616-A Desulfurization filler and preparation and application thereof 中国石油化工股份有限公司 2023-04-14 CN claimed
CN-115957725-A Modified hollow ceramic fiber and preparation method and application thereof 中国石油化工股份有限公司 2023-04-14 CN disclosed
CN-115957616-A Desulfurization filler and preparation and application thereof 中国石油化工股份有限公司 2023-04-14 CN disclosed