SCHEMBL7809757

SCHEMBL7809757

NC(=O)N(O)CCCCCCn1c(-c2cccnc2)cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TBXAS1 P24557 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
CNR2 P34972 2/20 0.38
NTRK1 P04629 3/20 0.38
IDO1 P14902 1/20 0.38
MAPT P10636 1/20 0.37
NTRK3 Q16288 1/20 0.37

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
SCHEMBL7803269 1.00 ALDH1A1 (0.45) ALDH1A1TBXAS1L3MBTL1KMT2AMTNR1A
SCHEMBL7811305 1.00 ALDH1A1 (0.45) ALDH1A1TBXAS1L3MBTL1KMT2AMTNR1A
SCHEMBL7811788 1.00 ALDH1A1 (0.45) ALDH1A1TBXAS1L3MBTL1KMT2AMTNR1A
SCHEMBL7815552 0.99 ALDH1A1 (0.46) ALDH1A1TBXAS1L3MBTL1KMT2AMTNR1A
SCHEMBL7803240 0.92 ALDH1A1 (0.48) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL7803259 0.88 ACLY (0.46) TBXAS1MAPT
SCHEMBL7807915 0.82 CNR2 (0.49) ALDH1A1KMT2AMTNR1AMTNR1BCNR2
SCHEMBL7809850 0.81 MAPT (0.51) ALDH1A1TBXAS1L3MBTL1MTNR1AMTNR1B
SCHEMBL7815436 0.78 ALDH1A1 (0.44) ALDH1A1TBXAS1L3MBTL1KMT2AMTNR1A
SCHEMBL7803002 0.78 TBXAS1 (0.70) TBXAS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949259-B1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2001-06-20 EP disclosed
US-6184238-B1 ANTIALLERGENS, ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-02-06 US disclosed
EP-0949259-A1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-10-13 EP disclosed