SCHEMBL29294647

SCHEMBL29294647

Cc1cc(Br)ccc1-n1cc2c(=O)[nH]c(N3CCS(=O)(=O)CC3)nc2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.48
▸ HCAR1 Q9BXC0 1/20 0.35
▸ HTR3A P46098 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ MGLL Q99685 5/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TMIGD3 P0DMS9 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL29294585 0.90 NLRP3 (0.51) NLRP3HCAR1HTR3AHRH4MGLL
SCHEMBL29294222 0.87 NLRP3 (0.53) NLRP3HCAR1MGLLMEN1KMT2A
SCHEMBL29294644 0.85 NLRP3 (0.47) NLRP3HCAR1HTR3AHRH4MGLL
SCHEMBL29294682 0.85 NLRP3 (0.47) NLRP3HCAR1HTR3AHRH4MGLL
SCHEMBL29294833 0.85 NLRP3 (0.47) NLRP3HCAR1HTR3AHRH4MGLL
SCHEMBL29294631 0.85 NLRP3 (0.47) NLRP3MGLLMAPTRAB9A
SCHEMBL29294822 0.84 NLRP3 (0.50) NLRP3HCAR1MGLLMEN1MAPT
SCHEMBL29294641 0.83 NLRP3 (0.47) NLRP3HCAR1HTR3AHRH4MGLL
SCHEMBL29294638 0.83 NLRP3 (0.46) NLRP3HCAR1HTR3AHRH4MGLL
SCHEMBL29294639 0.83 NLRP3 (0.46) NLRP3HCAR1MGLLMEN1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397663-A1 6-AMINOPYRAZOLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2024-07-10 — — EP disclosed
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