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Sugi Predict / Compounds / SCHEMBL25319045

SCHEMBL25319045

SCHEMBL25319045

COCCCNC(=O)c1ccc(Cn2c(SCc3ccc(C(F)(F)F)cc3)nc3ccncc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 9/20 1.00
▸ TP53 P04637 4/20 0.65
▸ MAPT P10636 2/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ POLB P06746 1/20 0.63

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
SCHEMBL25319934 0.94 NLRP3 (0.89) NLRP3TP53MAPTSMN1; SMN2
SCHEMBL25320335 0.92 NLRP3 (1.00) NLRP3TP53MAPTPOLB
SCHEMBL25318867 0.91 NLRP3 (0.86) NLRP3TP53MAPTSMN1; SMN2
SCHEMBL25319825 0.91 NLRP3 (0.86) NLRP3TP53MAPTSMN1; SMN2
SCHEMBL25319719 0.91 NLRP3 (0.86) NLRP3TP53MAPTSMN1; SMN2
SCHEMBL25317965 0.90 NLRP3 (0.85) NLRP3TP53MAPTSMN1; SMN2
SCHEMBL25902003 0.90 NLRP3 (1.00) NLRP3TP53MAPTSMN1; SMN2
SCHEMBL25318856 0.89 NLRP3 (0.89) NLRP3TP53MAPTSMN1; SMN2POLB
SCHEMBL31325560 0.89 NLRP3 (0.81) NLRP3TP53
SCHEMBL25316885 0.89 NLRP3 (0.82) NLRP3TP53MAPTSMN1; SMN2

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
WO-2023137885-A1 COMPOUND HAVING PYRIDOIMIDAZOLE AS PARENT NUCLEUS, AND PREPARATION METHOD FOR AND USE OF COMPOUND 中国药科大学 2023-07-27 — — WO disclosed
WO-2023137885-A1 COMPOUND HAVING PYRIDOIMIDAZOLE AS PARENT NUCLEUS, AND PREPARATION METHOD FOR AND USE OF COMPOUND 中国药科大学 2023-07-27 — — WO disclosed