SCHEMBL8945381

SCHEMBL8945381

COCCCNC(=O)c1ccnc(C(=O)NCCOC)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HPGD P15428 2/20 0.51
LOXL2 Q9Y4K0 4/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
TSHR P16473 1/20 0.48
LOX P28300 3/20 0.47
HPGDS O60760 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL8945406 1.00 ALDH1A1 (0.59) ALDH1A1HPGDLOXL2KMT2ATP53
Safironil SCHEMBL344153 0.97 ALDH1A1 (0.62) ALDH1A1HPGDKMT2AL3MBTL1KDM4E
Lufironil SCHEMBL344625 0.94 HPGD (0.56) ALDH1A1HPGDLOXL2KMT2ATP53
SCHEMBL9404070 0.88 ALDH1A1 (0.57) ALDH1A1HPGDLOXL2KMT2ATP53
SCHEMBL9561509 0.85 HPGD (0.58) ALDH1A1HPGDKMT2ATP53L3MBTL1
SCHEMBL8842629 0.85 LOXL2 (0.50) ALDH1A1HPGDLOXL2KMT2ATP53
SCHEMBL8842613 0.84 TSHR (0.70) ALDH1A1KMT2ATP53L3MBTL1KDM4E
SCHEMBL5217144 0.82 TP53 (0.47) ALDH1A1HPGDKMT2ATP53L3MBTL1
SCHEMBL9561714 0.82 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AL3MBTL1KDM4E
SCHEMBL9561544 0.81 POLB (0.51) ALDH1A1KMT2AL3MBTL1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519038-A ENZYME INHIBITORS SUITABLE AS FIBROSUPPRESSANTS AND IMMUNOSUPPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-21 US disclosed