SCHEMBL1531775

SCHEMBL1531775

Nc1nnc(-c2cccc3ccccc23)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.59
KDM4E B2RXH2 6/20 0.56
RAB9A P51151 3/20 0.56
HSD17B10 Q99714 7/20 0.54
ALDH1A1 P00352 6/20 0.54
ATM Q13315 2/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
NOTUM Q6P988 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
HPGD P15428 5/20 0.51
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
TSHR P16473 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALOX12 P18054 2/20 0.51
ATR Q13535 1/20 0.47

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
SCHEMBL29408668 0.87 ALOX15 (0.69) ALOX15KDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL186871 0.87 ALOX15 (0.69) ALOX15KDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL12914292 0.83 ALOX15 (0.65) ALOX15KDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL12765579 0.80 ALOX15 (0.61) ALOX15KDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL1720737 0.79 HSD17B10 (0.70) ALOX15KDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL4333750 0.79 RAB9A (0.66) ALOX15KDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL10315085 0.79 ALOX15 (0.64) ALOX15KDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL1531808 0.79 ALOX15 (0.59) ALOX15KDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL29355388 0.79 RAB9A (0.66) ALOX15KDM4ERAB9AHSD17B10ALDH1A1
SCHEMBL12765576 0.77 RAB9A (0.73) ALOX15KDM4ERAB9AHSD17B10ALDH1A1

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
WO-2020196327-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF 株式会社ヤクルト本社 2020-10-01 WO disclosed
WO-2011028651-A1 INHIBITORS OF HUMAN 15-LIPOXYGENASE-1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-03-10 WO disclosed