SCHEMBL6544324

SCHEMBL6544324

C=C=O.Nc1nc(N)nc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.43
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32

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
Carbon Dioxide SCHEMBL28176337 0.85 CASP1 (0.40) CASP1LMNACYP1A2POLBADORA3
Formaldehyde SCHEMBL6550879 0.81 LMNA (0.45) CASP1LMNACYP1A2POLBADORA3
Formaldehyde SCHEMBL11786670 0.81 LMNA (0.45) CASP1LMNACYP1A2POLBADORA3
Formaldehyde SCHEMBL3301090 0.81 LMNA (0.45) CASP1LMNACYP1A2POLBADORA3
Formaldehyde SCHEMBL7797548 0.81 LMNA (0.45) CASP1LMNACYP1A2POLBADORA3
Formaldehyde SCHEMBL9861640 0.81 LMNA (0.45) CASP1LMNACYP1A2POLBADORA3
Formaldehyde SCHEMBL20816 0.81 LMNA (0.45) CASP1LMNACYP1A2POLBADORA3
SCHEMBL6575330 0.79 CASP1 (0.36) CASP1LMNACYP1A2POLBADORA3
SCHEMBL6234146 0.79 CASP1 (0.36) CASP1LMNACYP1A2POLBADORA3
SCHEMBL5680834 0.79 CASP1 (0.36) CASP1LMNACYP1A2POLBADORA3

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-3408342-B1 POLISHING COMPOSITION COMPRISING CATIONIC POLYMER ADDITIVE CMC MAT LLC (US) 2024-03-06 EP claimed
EP-0770002-B1 BARRIER FILM STRUCTURES EXXONMOBIL OIL CORP (US) 2004-01-02 EP claimed