SCHEMBL7109847

SCHEMBL7109847

CC1CC(NS(=O)(=O)c2ccc(NN)cc2)CC(C)(C)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HTT P42858 2/20 0.40
KDM4E B2RXH2 3/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 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
SCHEMBL2973570 0.76 ALDH1A1 (0.49) ALDH1A1NPSR1KMT2AMEN1HTT
SCHEMBL12858739 0.71 ALDH1A1 (1.00) ALDH1A1NPSR1MAPT
SCHEMBL4485788 0.70 PAK1 (0.47) ALDH1A1NPSR1KMT2AMEN1HTT
SCHEMBL11138518 0.70 ALDH1A1 (0.52) ALDH1A1NPSR1HTTKDM4ELMNA
SCHEMBL7595557 0.70 ALDH1A1 (0.43) ALDH1A1NPSR1KMT2AMEN1HTT
SCHEMBL6552668 0.70 ABHD16A (0.46) ALDH1A1NPSR1KMT2AMEN1HTT
SCHEMBL27468639 0.69 ALDH1A1 (0.56) ALDH1A1NPSR1KMT2AMEN1HTT
SCHEMBL6551189 0.68 ALDH1A1 (0.41) ALDH1A1NPSR1KMT2AMEN1HTT
SCHEMBL5271670 0.68 ALDH1A1 (0.48) ALDH1A1NPSR1KMT2AMEN1HTT
SCHEMBL5271667 0.68 ALDH1A1 (0.48) ALDH1A1NPSR1KMT2AMEN1HTT

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-1152024-C Substituted 3-phenyl-5-alkoxy-1, 3, 4-oxadiazol-2-ones and their use as lipase inhibitors ���ĵ�˹ҩ��¹����޹�˾ 2004-06-02 CN disclosed
EP-1214302-B1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONES AND THEIR USE AS LIPASE INHIBITORS AVENTIS PHARMA GMBH (DE) 2003-10-29 EP disclosed
US-6596742-B1 Inhibitory effect on the hormone-sensitive lipase, HSL. insecticides, controlling metabolism and multistage synthesis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-07-22 US disclosed
EP-1214302-A1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONES AND THEIR USE AS LIPASE INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2002-06-19 EP disclosed
WO-2001017981-A1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONES AND THEIR USE AS LIPASE INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-03-15 WO disclosed