SCHEMBL9502183

SCHEMBL9502183

Cc1c(CNCCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cccc1OCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
HTR6 P50406 5/20 0.41
POLB P06746 1/20 0.41
DRD2 P14416 2/20 0.40
BCHE P06276 2/20 0.40
CD274 Q9NZQ7 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ACHE P22303 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
SCHEMBL9504108 0.97 TP53 (0.44) TP53KDM4EALDH1A1MEN1LMNA
SCHEMBL9502756 0.89 SLC2A1 (0.40) KDM4EMEN1KMT2ASMN1; SMN2BCHE
SCHEMBL9501109 0.88 TSHR (0.45) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL9501482 0.85 POLB (0.39) TP53KDM4EALDH1A1MEN1LMNA
SCHEMBL9502824 0.81 BCHE (0.41) ALDH1A1HTR6BCHECD274CHRM2
SCHEMBL10518196 0.77 BCHE (0.38) ALDH1A1LMNAHTR6BCHECD274
SCHEMBL9501464 0.74 BCHE (0.38) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL5395108 0.69 CYP2D6 (0.74) TP53KDM4EALDH1A1MEN1KMT2A
SCHEMBL10722023 0.67 HTR7 (0.71) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL10728118 0.67 POLB (0.63) TP53ALDH1A1MEN1LMNAKMT2A

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