SCHEMBL22032764

SCHEMBL22032764

O=C(O)N1CCN(S(=O)(=O)c2ccc(OC(F)F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ PKM P14618 5/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ PKLR P30613 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ YAP1 P46937 1/20 0.47
▸ TEAD4 Q15561 1/20 0.47
▸ TEAD2 Q15562 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL22032771 0.82 TGM2 (0.60) ALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL19858517 0.81 PKM (0.76) ALDH1A1SMN1; SMN2LMNAPKMNPC1
SCHEMBL6886969 0.81 USP2 (0.65) ALDH1A1SMN1; SMN2LMNAPKMNPC1
SCHEMBL22032773 0.80 KMT2A (0.59) ALDH1A1SMN1; SMN2LMNAPKMNPC1
SCHEMBL17100765 0.78 MAPT (0.58) ALDH1A1SMN1; SMN2LMNAPKMNPC1
SCHEMBL8218729 0.77 LMNA (0.53) ALDH1A1SMN1; SMN2LMNAPKMNPC1
SCHEMBL6744239 0.77 ALDH1A1 (0.71) ALDH1A1LMNAPKMNPC1KMT2A
SCHEMBL2835516 0.77 KMT2A (0.56) ALDH1A1SMN1; SMN2LMNAPKMMEN1
SCHEMBL2959791 0.77 PKM (0.51) ALDH1A1SMN1; SMN2LMNAPKMNPC1
SCHEMBL7373758 0.77 L3MBTL1 (0.48) ALDH1A1LMNAPKMMEN1KMT2A

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
EP-3890715-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER The Board Of Regents Of The University Of Texas System (US) 2021-10-13 — — EP disclosed
WO-2020117972-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-06-11 — — WO disclosed
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