SCHEMBL8095419

SCHEMBL8095419

NCC(NCCC(NCCN1CCCCC1)N1CCCCC1)N1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TSHR P16473 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL8095289 0.92 CARM1 (0.36) TSHRCARM1PRMT6PRMT8CA12
SCHEMBL10431348 0.77 KEAP1 (0.50) KEAP1SMN1; SMN2ALDH1A1KDM1A
SCHEMBL8104876 0.75 KEAP1 (0.40) KEAP1SMN1; SMN2ALDH1A1KDM1A
SCHEMBL4881270 0.71 HRH3 (0.39) SMN1; SMN2TSHRCARM1PRMT6PRMT8
SCHEMBL4967445 0.67 HSD17B10 (0.46) SMN1; SMN2TSHRCA1CA2CA9
SCHEMBL12937 0.64 ALDH1A1 (0.54) KEAP1SMN1; SMN2CA12CA1CA2
SCHEMBL682249 0.64 CA12 (0.46) KEAP1SMN1; SMN2TSHRCARM1PRMT6
SCHEMBL9085403 0.63 SLC6A2 (0.38) KEAP1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL10409514 0.63 CA12 (0.42) KEAP1SMN1; SMN2TSHRCA12CA1
SCHEMBL1685458 0.63 KEAP1 (0.61) KEAP1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6015814-A Quinazoline derivative ZENECA LIMITED (GB) 2000-01-18 US claimed
US-6015814-A Quinazoline derivative ZENECA LIMITED (GB) 2000-01-18 US disclosed