SCHEMBL23570044

SCHEMBL23570044

O=C(OCc1ccccc1)c1nn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ELANE P08246 9/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MCOLN3 Q8TDD5 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ F2 P00734 2/20 0.42
▸ PLAU P00749 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
SCHEMBL23570367 0.84 EGLN1 (0.46) KDM4EMAPTMAOBADORA2AKMT2A
SCHEMBL6114039 0.78 ELANE (0.55) KMT2ALMNAMEN1SMN1; SMN2ELANE
SCHEMBL8426872 0.77 CNR1 (0.57) KDM4EMAPTMAOBADORA2AKMT2A
SCHEMBL9400073 0.75 ELANE (0.52) KDM4EMAPTKMT2AMEN1ELANE
SCHEMBL20154228 0.71 MAPT (0.57) KDM4EMAPTMAOBADORA2AKMT2A
SCHEMBL9980554 0.68 SLC9A1 (0.45) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL18031563 0.68 ELANE (0.49) KMT2AMEN1ELANENPSR1F2
SCHEMBL30302187 0.67 RORC (0.54) KDM4EKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL590143 0.67 RORC (0.41) KDM4EKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL17598786 0.66 TDP1 (0.61) KDM4EMAPTMAOBADORA2AKMT2A

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
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 — — WO disclosed
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