SCHEMBL29860076

SCHEMBL29860076

ClCCNc1ccccc1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.33
ADRA1B P35368 2/20 0.33
ADRA1D P25100 1/20 0.33
PDE5A O76074 1/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL18528905 0.87 CYP1A2 (0.31) CYP1A2CYP3A4MAPK1CYP2C19CLK4
SCHEMBL29860693 0.79 KMT2A (0.42) MAPK1HTT
SCHEMBL3048858 0.78
SCHEMBL9331257 0.77 POLB (0.30) MAPK1MAPT
SCHEMBL482607 0.72 RAB9A (0.33) CYP1A2CYP2C19
SCHEMBL388873 0.72 HDAC1 (0.32)
SCHEMBL392325 0.72 CNR2 (0.33) CYP1A2CYP2C19MAPT
SCHEMBL5145779 0.72 HTT (0.44) CYP1A2CYP2C19MAPTHTT
SCHEMBL392613 0.72 ROCK2 (0.33)
SCHEMBL18653541 0.72 MEN1 (0.41) CYP1A2CYP3A4MAPK1CYP2C19CLK4

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
WO-2022209858-A1 UV RADIATION SENSING MEMBER AND UV RADIATION SENSING KIT 富士フイルム株式会社 2022-10-06 WO disclosed