SCHEMBL28796100

SCHEMBL28796100

Clc1ccc2c(-c3ccc[nH]3)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
CYP2A6 P11509 1/20 0.38
CSF1R P07333 1/20 0.38
AHR P35869 2/20 0.38
F7 P08709 1/20 0.38
LTA4H P09960 1/20 0.38
F3 P13726 1/20 0.38
NR4A2 P43354 1/20 0.38
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
RCE1 Q9Y256 1/20 0.36
ALPL P05186 1/20 0.36
GAA P10253 1/20 0.36
CDK2 P24941 1/20 0.35

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
SCHEMBL2289477 0.78 KDM4E (0.50) CYP2A6AURKAKDRKDM4EALDH1A1
SCHEMBL27947964 0.77 AURKA (0.39) KMT2AMEN1AHRAURKAKDR
SCHEMBL30461001 0.76 AURKA (0.38) KMT2AMEN1AHRAURKAKDR
SCHEMBL26259996 0.75 AURKA (0.48) AURKAKDRKDM4EALPLGAA
SCHEMBL940321 0.74 KDM4E (0.46) KMT2AMEN1CYP2A6KDM4EALDH1A1
SCHEMBL28065244 0.74 HPRT1 (0.52) KMT2AMEN1CYP2A6AHRAURKA
SCHEMBL27082784 0.73 MAPT (0.46) CNR1KMT2AMEN1CSF1RAHR
SCHEMBL24696515 0.72 MEN1 (0.46) CNR1KMT2AMEN1CSF1RCDK2
SCHEMBL30041042 0.72 MEN1 (0.46) CNR1KMT2AMEN1CSF1RCDK2
SCHEMBL2466401 0.70 IDO1 (0.56) CNR1KMT2AMEN1CSF1RAURKA

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
CN-110248940-B Aryl hydrocarbon receptor (AhR) modulator compounds 菲尼克斯药品股份公司 2022-07-01 CN disclosed