SCHEMBL28404731

SCHEMBL28404731

Clc1cccc(-c2c[nH]c(Cc3cc[nH]c3)n2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.38
▸ PTPN11 Q06124 2/20 0.36
▸ NUDT1 P36639 6/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ CXCR2 P25025 1/20 0.34
▸ P2RX7 Q99572 5/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ CNR2 P34972 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
SCHEMBL31305502 0.85 NR1H2 (0.49) IDO1NUDT1NR1H2NR1H3CXCR2
SCHEMBL28406018 0.85 TAAR1 (0.35) NR1H2NR1H3TAAR1
SCHEMBL2873571 0.85 NR1H2 (0.49) IDO1NUDT1NR1H2NR1H3CXCR2
SCHEMBL2863841 0.84 IDO1 (0.40) IDO1PTPN11NUDT1NR1H2NR1H3
SCHEMBL27967650 0.83 NUDT1 (0.39) IDO1PTPN11NUDT1NR1H2NR1H3
SCHEMBL28402507 0.83 P2RX7 (0.46) IDO1PTPN11NUDT1NR1H2NR1H3
SCHEMBL27967787 0.82 TAAR1 (0.46) IDO1PTPN11NUDT1CXCR2P2RX7
SCHEMBL28812836 0.82 ADORA2A (0.43) IDO1PTPN11NUDT1NR1H2NR1H3
SCHEMBL27967633 0.81 IDO1 (0.42) IDO1PTPN11NUDT1CXCR2P2RX7
SCHEMBL28406366 0.80 IDO1 (0.39) IDO1PTPN11NUDT1CXCR2PTPN1

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
CN-111057043-B Imidazole compound, preparation method and application thereof, organic weldable protective agent containing imidazole compound and surface treatment method 深圳市贝加电子材料有限公司 2021-11-02 — — CN claimed
CN-111057043-A Imidazole compound, preparation method and application thereof, organic weldable protective agent containing imidazole compound and surface treatment method 深圳市贝加电子材料有限公司 2020-04-24 — — CN claimed
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