SCHEMBL9502176

SCHEMBL9502176

Cc1ccccc1CNC(COCC(C)C)CN1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP2D6 P10635 2/20 0.45
PKM P14618 3/20 0.43
TP53 P04637 2/20 0.43
LPAR1 Q92633 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL9504097 0.96 KDM4E (0.45) KDM4ETDP1CYP2D6PKMTP53
SCHEMBL9502751 0.89 KDM4E (0.39) KDM4ETDP1CYP2D6KMT2AALDH1A1
SCHEMBL9501107 0.88 TSHR (0.48) KDM4ETDP1KMT2AALDH1A1LMNA
SCHEMBL9502822 0.80 LMNA (0.50) KDM4EKMT2AALDH1A1LMNAPOLB
SCHEMBL9502192 0.80 TDP1 (0.43) KDM4ETDP1CYP2D6PKMTP53
SCHEMBL10518194 0.77 LMNA (0.46) KDM4ETDP1KMT2AALDH1A1LMNA
SCHEMBL9501073 0.77 GAA (0.59) CYP2D6PKMKMT2AALDH1A1LMNA
SCHEMBL12726868 0.73 CYP2D6 (0.76) CYP2D6PKMTP53KMT2AALDH1A1
SCHEMBL9502196 0.71 CYP2D6 (0.47) KDM4ECYP2D6PKMKMT2AALDH1A1
SCHEMBL10386225 0.69 ALDH1A1 (0.45) KDM4ECYP2D6PKMKMT2AALDH1A1

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-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP claimed
US-4960883-A Cardiovascular disorders KOWA COMPANY, LTD. (JP) 1990-10-02 US claimed