SCHEMBL30207105

SCHEMBL30207105

O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ LMNA P02545 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ TP53 P04637 2/20 0.42

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
SCHEMBL18038967 1.00 GAA (0.47) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL18038998 0.99 GAA (0.46) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL18038984 0.92 HTT (0.48) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL18038966 0.90 HTT (0.52) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL18038982 0.89 HTT (0.52) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL22050495 0.89 GAA (0.44) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL21749683 0.89 GAA (0.46) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL22051931 0.89 GAA (0.42) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL18038965 0.88 L3MBTL1 (0.52) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL22050826 0.88 GAA (0.45) GAACYP1A2CYP2D6PKMCYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117295522-A Compositions and methods for megalin inhibitors and photodynamic therapy for the treatment of cancer 香港大学 2023-12-26 — — CN claimed
WO-2022237864-A1 COMPOSITIONS AND METHODS OF MACROPINOCYTOSIS INHIBITORS AND PHOTODYNAMIC THERAPY TO TREAT CANCERS THE UNIVERSITY OF HONG KONG (CN) 2022-11-17 — — WO claimed
CN-119112874-A Application of lupin alkane derivative in preparation of medicine for preventing and/or treating drug induced deafness 吉林农业大学 2024-12-13 — — CN disclosed
CN-117295522-A Compositions and methods for megalin inhibitors and photodynamic therapy for the treatment of cancer 香港大学 2023-12-26 — — CN disclosed
WO-2022237864-A1 COMPOSITIONS AND METHODS OF MACROPINOCYTOSIS INHIBITORS AND PHOTODYNAMIC THERAPY TO TREAT CANCERS THE UNIVERSITY OF HONG KONG (CN) 2022-11-17 — — WO disclosed
Send feedback