SCHEMBL8346115

SCHEMBL8346115

NCCCCNc1ccc(Cl)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 7/20 0.48
STK17B O94768 4/20 0.48
FERMT2 Q96AC1 2/20 0.48
F10 P00742 3/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
PTK2 Q05397 1/20 0.41
HCAR3 P49019 1/20 0.41

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
SCHEMBL10736213 0.95 STK17A (0.51) STK17ASTK17BFERMT2F10ALDH1A1
SCHEMBL5206693 0.87 MAOB (0.51) STK17AFERMT2ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL6441856 0.86 MAOB (0.50) STK17AFERMT2ALDH1A1HPGDKMT2A
SCHEMBL7154180 0.83 HCAR3 (0.59) ALDH1A1HPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL17604353 0.77 MKNK1 (0.52) ALDH1A1HPGDKMT2ASMN1; SMN2MAOB
SCHEMBL13947117 0.77 HCAR3 (0.56) ALDH1A1HPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL8352280 0.76 CHEK1 (0.48) ALDH1A1HPGDHRH3
SCHEMBL8348152 0.76 RAB9A (0.50) F10ALDH1A1KMT2ASMN1; SMN2HRH3
SCHEMBL12477826 0.75 CHEK1 (0.43)
SCHEMBL11935676 0.74 RAB9A (0.49) F10ALDH1A1KMT2ASMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999021870-A1 ERYTHROMYCIN A 11, 12-CARBAMATE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO disclosed
EP-0112707-B1 AMINOPYRIMIDINONE DERIVATIVES AS HISTAMINE H1-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-11-04 EP disclosed
US-4652650-A Pyridylaminoalkylamine intermediates SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-03-24 US disclosed
US-4548940-A Pyridylaminoalkylaminopyrimidones useful as histamine H1 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-10-22 US disclosed
EP-0112707-A2 Aminopyrimidinone derivatives as histamine H1-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-04 EP disclosed