SCHEMBL20757447

SCHEMBL20757447

CCCc1cc(F)cc(-c2cc(C)nn2C)c1N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30684250 0.75 IDH1 (0.32) KCNH2
SCHEMBL20754868 0.75 IDH1 (0.32) KCNH2
SCHEMBL20681193 0.72 HMGCR (0.41) KCNH2
SCHEMBL20757449 0.70 AKR1C3 (0.35)
SCHEMBL20757284 0.68 METAP2 (0.36)
SCHEMBL3488246 0.67 KDM4E (0.43) KCNH2
SCHEMBL3490291 0.66 KCNH2 (0.48) ADORA2BKCNH2
SCHEMBL20757658 0.65 CYP11B1 (0.40) MEN1KMT2A
SCHEMBL175252 0.64 KDM4E (0.47) KCNH2
SCHEMBL16487535 0.64 SMN1; SMN2 (0.42) ADORA2BMEN1KMT2A

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-2019034690-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2019-02-21 WO disclosed
WO-2019034692-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2019-02-21 WO disclosed