SCHEMBL29601108

SCHEMBL29601108

COCOc1cccnc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33

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
SCHEMBL24323463 1.00 NFE2L2 (0.40) NFE2L2NPC1RAB9APTPN1ALDH1A1
SCHEMBL934218 0.82 GRM5 (0.45) NFE2L2ALDH1A1HTTNPSR1
SCHEMBL2084338 0.82 NFE2L2 (0.55) NFE2L2NPC1RAB9APDGFRBPLAU
SCHEMBL871658 0.79 GRM5 (0.43) NFE2L2NPC1RAB9APTPN1ALDH1A1
SCHEMBL2454385 0.78 CYP2C9 (0.47) NPC1RAB9APTPN1ALDH1A1HPGD
SCHEMBL30060651 0.77 CHRNB2 (0.44) NFE2L2NPC1RAB9APTPN1ALDH1A1
SCHEMBL761705 0.77 CHRNB2 (0.44) NFE2L2NPC1RAB9APTPN1ALDH1A1
SCHEMBL2085978 0.76 LIG1 (0.43) ALDH1A1HPGD
SCHEMBL1536639 0.76 NCF1 (0.43) NPC1RAB9AALDH1A1HPGDHTT
SCHEMBL9491107 0.76 PTPN1 (0.48) NPC1RAB9APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676927-A1 HETEROCYCLIC COMPOUNDS AS WRN INHIBITORS Synnovation Therapeutics, Inc. (US) 2026-01-14 EP disclosed
WO-2024187049-A1 HETEROCYCLIC COMPOUNDS AS WRN INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2024-09-12 WO disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed