SCHEMBL9502196

SCHEMBL9502196

CC(C)COC(NCc1ccccc1)C(C)CN1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL9504119 0.96 CYP2D6 (0.44) CYP2D6KMT2AMEN1ALDH1A1POLB
SCHEMBL9502763 0.89 FABP6 (0.43) CYP2D6KMT2AMEN1ALDH1A1POLB
SCHEMBL9502157 0.88 GPBAR1 (0.47) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL9502829 0.80 SIGMAR1 (0.41) ALDH1A1POLBSMN1; SMN2LMNAKDM4E
SCHEMBL10386225 0.78 ALDH1A1 (0.45) CYP2D6KMT2AMEN1ALDH1A1POLB
SCHEMBL10518201 0.77 CXCR4 (0.46) KMT2AMEN1SMN1; SMN2
SCHEMBL9502634 0.76 LMNA (0.49) CYP2D6KMT2AMEN1ALDH1A1POLB
SCHEMBL12726868 0.75 CYP2D6 (0.76) CYP2D6KMT2AALDH1A1POLBLMNA
SCHEMBL9501073 0.72 GAA (0.59) CYP2D6KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9502176 0.71 KDM4E (0.48) CYP2D6KMT2AALDH1A1POLBLMNA

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 3 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-A1 Propane derivatives KOWA COMPANY, LTD. (JP) 1989-09-06 EP claimed