SCHEMBL28813581

SCHEMBL28813581

CCCCn1ncc2c(Cl)nccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
SLC9A1 P19634 1/20 0.36
MPO P05164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
BCL6 P41182 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
SCHEMBL29824715 0.78 TNK2 (0.40) NPC1UTS2RLMNA
SCHEMBL1740710 0.77 KDR (0.42)
SCHEMBL1743157 0.77 KDR (0.42)
SCHEMBL30295640 0.75 RXFP1 (0.41) RXFP1LMNA
SCHEMBL17873835 0.75 RXFP1 (0.41) RXFP1LMNA
SCHEMBL21603424 0.74 LMNA (0.48) TSHRNPC1RXFP1UTS2RLMNA
SCHEMBL21333168 0.74 RECQL (0.53) TSHRNPC1MPOPKMLMNA
SCHEMBL13115663 0.73 KMO (0.51) PDE4BPDE4D
SCHEMBL28900816 0.72 ADORA2A (0.39) NPC1
SCHEMBL958548 0.72 CYP17A1 (0.48) PKMLMNAHTT

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-4077323-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2022-10-26 EP disclosed
CN-114867725-A OGA inhibitor compounds 詹森药业有限公司 2022-08-05 CN disclosed