SCHEMBL30122009

SCHEMBL30122009

CS(=O)(=O)c1cc(Cl)ccc1CN

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.41
ADRA1D P25100 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP2A6 P11509 1/20 0.39
EPHX2 P34913 1/20 0.37
F2 P00734 1/20 0.37
P2RX7 Q99572 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
CNR2 P34972 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3922915 1.00 CCR2 (0.41) CCR2ADRA1DADRA2AADRA2CADRA1A
SCHEMBL4486953 0.85 ADRA1D (0.48) CCR2ADRA1DADRA2CADRA1AADRA1B
SCHEMBL15713787 0.85 CCR2 (0.44) CCR2ADRA1DADRA2AADRA2CADRA1A
Hydrochloric Acid SCHEMBL1262739 0.84 ADRA1D (0.47) CCR2ADRA1DADRA2CADRA1AADRA1B
SCHEMBL1807106 0.81 CYP2A6 (0.39) CYP2A6F2ALDH1A1L3MBTL1
SCHEMBL1139918 0.81 CCR2 (0.41) CCR2ADRA1DADRA2AADRA2CADRA1A
SCHEMBL16616435 0.81 PSEN1 (0.47) CCR2
SCHEMBL30122107 0.81 CCR2 (0.41) CCR2ADRA1DADRA2AADRA2CADRA1A
SCHEMBL13873006 0.80 CCR2 (0.41) CCR2ADRA1DADRA2AADRA2CADRA1A
SCHEMBL14492056 0.79 L3MBTL1 (0.40) ADRA1DADRA2AADRA2CADRA1AADRA1B

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-115572252-B Isoindolinone inhibitors of MDM2-P53 interaction with anticancer activity 阿斯泰克斯治疗有限公司 2025-02-25 CN disclosed
CN-115572252-A Isoindolinone inhibitors of MDM2-P53 interaction with anti-cancer activity 阿斯泰克斯治疗有限公司 2023-01-06 CN disclosed