SCHEMBL31087243

SCHEMBL31087243

CSc1ccccc1-c1ccccc1SC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
LMNA P02545 3/20 0.52
RXFP1 Q9HBX9 3/20 0.52
IDO1 P14902 1/20 0.52
ALDH1A1 P00352 9/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 4/20 0.50
MAPT P10636 3/20 0.50
NISCH Q9Y2I1 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
NPSR1 Q6W5P4 3/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
MAP2K7 O14733 1/20 0.46
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46

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
SCHEMBL5890646 1.00 KDM4E (0.52) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL18214562 0.87 KDM4E (0.44) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL8779980 0.85 MAPK1 (0.50) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL398627 0.85 ALDH1A1 (0.59) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL22195508 0.85 IDO1 (0.47) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL24589025 0.85 ALDH1A1 (0.45) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL3243704 0.85 ALDH1A1 (0.55) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL14951410 0.85 ALDH1A1 (0.44) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL7411224 0.84 ALDH1A1 (0.58) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL30478007 0.84 ALDH1A1 (0.58) KDM4ELMNARXFP1IDO1ALDH1A1

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
US-20240286111-A1 CARBON DIOXIDE ADSORBENT AND CARBON DIOXIDE ADSORPTION-DESORPTION DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2024-08-29 US disclosed
EP-4420773-A1 CARBON DIOXIDE ADSORBENT AND CARBON DIOXIDE ADSORPTION-DESORPTION DEVICE Kabushiki Kaisha Toshiba (JP) 2024-08-28 EP disclosed