SCHEMBL28397356

SCHEMBL28397356

Clc1ccc(-c2c[nH]c(Cc3cc[nH]c3)n2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CXCR2 P25025 1/20 0.35
AHR P35869 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA2A P29274 2/20 0.34
KCNH2 Q12809 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5755658 0.85 ADORA2A (0.44) KMOLMNAHPGDCXCR2AHR
SCHEMBL31305393 0.85 ADORA2A (0.44) KMOLMNAHPGDCXCR2AHR
SCHEMBL28406402 0.84 CXCR2 (0.32) CXCR2
SCHEMBL31305571 0.83 CXCR2 (0.48) KMOCXCR2NPC1RAB9AKDM4E
SCHEMBL26114715 0.83 KMO (0.38) KMOLMNAHPGDCXCR2AHR
SCHEMBL2871695 0.83 NR1H2 (0.40) KMOLMNAHPGDCXCR2AHR
SCHEMBL2867366 0.83 CXCR2 (0.48) KMOCXCR2NPC1RAB9AKDM4E
SCHEMBL31305556 0.83 NR1H2 (0.40) KMOLMNAHPGDCXCR2AHR
SCHEMBL28403330 0.82 CYP3A4 (0.40) KMOLMNAHPGDCXCR2AHR
SCHEMBL28397353 0.81 IDO1 (0.38) CXCR2

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