SCHEMBL29294822

SCHEMBL29294822

Cc1cc(Br)ccc1-n1cc2c(=O)[nH]c(N3CCCOCC3)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.50
▸ TSHR P16473 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TMIGD3 P0DMS9 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ APAF1 O14727 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ MGLL Q99685 3/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ PDE3B Q13370 1/20 0.34

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
SCHEMBL29294222 0.96 NLRP3 (0.53) NLRP3TSHRALDH1A1KMT2AHSD17B10
SCHEMBL29294585 0.91 NLRP3 (0.51) NLRP3KMT2AHSD17B10MEN1SMN1; SMN2
SCHEMBL29294872 0.89 NLRP3 (0.42) NLRP3TSHRALDH1A1KMT2AHSD17B10
SCHEMBL29294829 0.88 NLRP3 (0.65) NLRP3TSHRALDH1A1KMT2AHSD17B10
SCHEMBL29294571 0.86 NLRP3 (0.46) NLRP3TSHRALDH1A1KMT2AHSD17B10
SCHEMBL29294871 0.85 NLRP3 (0.44) NLRP3TSHRALDH1A1KMT2AHSD17B10
SCHEMBL29295193 0.84 NLRP3 (0.44) NLRP3TSHRALDH1A1KMT2AHSD17B10
SCHEMBL29294721 0.84 NLRP3 (0.42) NLRP3TSHRALDH1A1KMT2AHSD17B10
SCHEMBL29294647 0.84 NLRP3 (0.48) NLRP3KMT2AHSD17B10MEN1SMN1; SMN2
SCHEMBL29294062 0.83 NLRP3 (0.69) NLRP3TSHRALDH1A1KMT2AHSD17B10

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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