SCHEMBL30853086

SCHEMBL30853086

COc1cc2c(Cl)nccc2cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.47
NSD2 O96028 2/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
TDP2 O95551 1/20 0.47
PPP1CA P62136 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
TNF P01375 5/20 0.46
PDE10A Q9Y233 3/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
CYP3A4 P08684 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL6326557 1.00 APAF1 (0.47) APAF1NSD2CASP3SENP8SENP7
SCHEMBL628689 0.94 APAF1 (0.47) APAF1NSD2CASP3SENP8SENP7
SCHEMBL5358941 0.86 TNF (0.57) APAF1NSD2CASP3SENP8SENP7
SCHEMBL31589356 0.86 TNF (0.57) APAF1NSD2CASP3SENP8SENP7
SCHEMBL16431495 0.82 APAF1 (0.48) APAF1NSD2CASP3SENP8SENP7
SCHEMBL6768992 0.81 TNF (0.46) APAF1NSD2CASP3SENP8SENP7
SCHEMBL15049245 0.81 NSD2 (0.47) APAF1NSD2CASP3SENP8SENP7
SCHEMBL29728760 0.81 NSD2 (0.47) APAF1NSD2CASP3SENP8SENP7
SCHEMBL17137277 0.80 KMO (0.36) APAF1NSD2CASP3SENP8SENP7
SCHEMBL1536597 0.80 TNF (0.48) APAF1NSD2CASP3SENP8SENP7

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
EP-4598533-A1 LACTATE ENHANCING COMPOUNDS AND USES THEREOF Gliapharm SA (CH) 2025-08-13 EP disclosed
WO-2024074436-A1 LACTATE ENHANCING COMPOUNDS AND USES THEREOF GLIAPHARM SA (CH) 2024-04-11 WO disclosed