SCHEMBL28846956

SCHEMBL28846956

CNc1ccc(Cl)cc1SC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CCR2 P41597 10/20 0.44
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ MAPT P10636 4/20 0.37

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
SCHEMBL22025141 0.78 MAPT (0.42) ALDH1A1GAAMEN1KMT2ACYP2C9
SCHEMBL24575945 0.77 CCR2 (0.43) CCR2MEN1KMT2AHTTCYP3A4
SCHEMBL10655616 0.77 PLK1 (0.35) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL31222333 0.76 PDE7A (0.46) ALDH1A1KDM4EGLAGAAMEN1
SCHEMBL27049091 0.75 CCR2 (0.36) CCR2MAPT
SCHEMBL25455606 0.75 CCR2 (0.36) ALDH1A1KDM4EGAACCR2MEN1
SCHEMBL3787206 0.75 CCR2 (0.46) ALDH1A1KDM4ECCR2MEN1KMT2A
SCHEMBL3780224 0.75 GAA (0.53) ALDH1A1KDM4EGLAGAAMEN1
SCHEMBL5741501 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EGLAGAAMEN1
Hydrochloric Acid SCHEMBL6712800 0.73 ADRA2A (0.46) ALDH1A1KDM4EMEN1KMT2AHTT

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-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
CN-108290871-B Isoindolinone inhibitors of MDM2-P53 interaction with anti-cancer activity 阿斯泰克斯治疗有限公司 2022-08-23 — — CN disclosed
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