SCHEMBL9011241

SCHEMBL9011241

O=C(O)Cc1cccc(C2(O)CCN(C(=O)c3cccs3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.53
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 2/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL27317284 0.83 GAA (0.62) HTTSMN1; SMN2GAAALDH1A1
SCHEMBL7811910 0.81 L3MBTL1 (0.57) NOS2HTTSMN1; SMN2GAAALDH1A1
SCHEMBL9010998 0.81 ALDH1A1 (0.53) HTTSMN1; SMN2ALDH1A1
SCHEMBL9011266 0.79 ALDH1A1 (0.57) HTTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL9011281 0.79 NPC1 (0.56) HTTGAAKDM4EALDH1A1LMNA
SCHEMBL9010993 0.77 SMN1; SMN2 (0.60) HTTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL9011197 0.77 ALDH1A1 (0.65) HTTKDM4EALDH1A1LMNA
SCHEMBL7813471 0.76 ALDH1A1 (0.47) NOS2HTTGAAALDH1A1LMNA
SCHEMBL3408619 0.76 AKR1B1 (0.46) GAAKDM4EALDH1A1LMNA
2-Thiophenenecarboxaldehyde SCHEMBL27296595 0.75 NOS2 (0.37) NOS2SMN1; SMN2ALDH1A1

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
CN-1035178-C Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1997-06-18 CN disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
CN-1094039-A Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1994-10-26 CN disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed