SCHEMBL9504108

SCHEMBL9504108

Cc1c(CNCCCN2CCCN(S(=O)(=O)c3ccccc3)CC2)cccc1OCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 4/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PKM P14618 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
POLB P06746 1/20 0.38
DRD2 P14416 2/20 0.38
CD274 Q9NZQ7 1/20 0.38
BCHE P06276 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL9502183 0.97 TP53 (0.47) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL9502756 0.86 SLC2A1 (0.40) KDM4ESMN1; SMN2MEN1KMT2ACD274
SCHEMBL9501109 0.85 TSHR (0.45) ALDH1A1KDM4ELMNAMAPTPKM
SCHEMBL9501482 0.82 POLB (0.39) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL10518196 0.78 BCHE (0.38) ALDH1A1LMNAHTR6CD274BCHE
SCHEMBL9502824 0.78 BCHE (0.41) ALDH1A1HTR6CD274BCHECHRM2
SCHEMBL9501464 0.71 BCHE (0.38) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL9504097 0.69 KDM4E (0.45) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL5395108 0.67 CYP2D6 (0.74) TP53ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL10722023 0.65 HTR7 (0.71) ALDH1A1KDM4ELMNASMN1; SMN2MAPT

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
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
EP-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP disclosed
US-4960883-A Cardiovascular disorders KOWA COMPANY, LTD. (JP) 1990-10-02 US disclosed
EP-0330910-A1 Propane derivatives KOWA COMPANY, LTD. (JP) 1989-09-06 EP disclosed