SCHEMBL5779813

SCHEMBL5779813

NNC(=O)c1nccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.47
GAA P10253 4/20 0.42
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
MPO P05164 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKCI P41743 2/20 0.36
ATR Q13535 1/20 0.36

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
SCHEMBL31646760 1.00 P2RX7 (0.47) P2RX7GAAKDM4EALDH1A1MAPT
SCHEMBL13169723 0.84 P2RX7 (0.56) P2RX7GAAKDM4EALDH1A1MAPT
SCHEMBL2593442 0.79 CASP1 (0.38) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL28119884 0.77 P2RX7 (0.48) P2RX7GAAKDM4EALDH1A1MAPT
SCHEMBL7326128 0.77 PRKCI (0.58) P2RX7KDM4EPKMRAB9APRKCI
SCHEMBL31646587 0.76 TLR7 (0.37) GAAKDM4EALDH1A1MAPTLMNA
SCHEMBL31646956 0.76 KDM4E (0.40) GAAKDM4EALDH1A1MAPTLMNA
SCHEMBL1552849 0.76 ADORA3 (0.40) ALDH1A1LMNAADORA3RAB9APRKCI
SCHEMBL31063539 0.76 ADORA3 (0.40) ALDH1A1LMNAADORA3RAB9APRKCI
SCHEMBL3461907 0.75 P2RX7 (0.55) P2RX7GAAKDM4EALDH1A1MAPT

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
WO-2025131957-A1 DIAZINONE COMPOUNDS FOR THE CONTROL OF INVERTEBRATE PESTS BASF SE (DE) 2025-06-26 WO disclosed
WO-2023010191-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 WO disclosed
EP-1673355-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2006-06-28 EP disclosed
WO-2005028452-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-03-31 WO disclosed