SCHEMBL9953769

SCHEMBL9953769

CC(C)(C)NC(=O)Oc1ccncc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRS3 P32247 5/20 0.36
KDM4E B2RXH2 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
LATS1 O95835 1/20 0.33
ATR Q13535 1/20 0.32
SSTR4 P31391 1/20 0.32
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL27667487 0.88 RAB9A (0.37) RAB9APOLBHPGDSMN1; SMN2BRS3
SCHEMBL28456611 0.82 KDM4E (0.46) RAB9APOLBHPGDSMN1; SMN2BRS3
SCHEMBL27773816 0.82 GAA (0.37) RAB9APOLBHPGDSMN1; SMN2BRS3
SCHEMBL27706541 0.79 SIRT3 (0.47) RAB9APOLBHPGDSMN1; SMN2BRS3
SCHEMBL3544784 0.79 RAB9A (0.35) RAB9APOLBHPGDSMN1; SMN2BRS3
SCHEMBL27773717 0.79 ROCK2 (0.38) RAB9APOLBHPGDSMN1; SMN2BRS3
SCHEMBL3548048 0.78 RAB9A (0.36) RAB9APOLBHPGDSMN1; SMN2BRS3
SCHEMBL28264077 0.77 RAB9A (0.37) RAB9APOLBHPGDSMN1; SMN2BRS3
SCHEMBL9952196 0.77 CYP1A2 (0.36) RAB9APOLBHPGDSMN1; SMN2BRS3
SCHEMBL27703275 0.77 KDM4E (0.38) RAB9AHPGDKDM4ECA12CA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655356-A1 FAAH INHIBITORS Ironwood Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
CN-101948425-A As the compound of glucocorticoid ligands, the pharmaceutical composition that comprises them, test kit and preparation method thereof BOEHRINGER INGELHEIM PHARMA 2011-01-19 CN disclosed
CN-1976705-B 1,1, 1-trifluoro-4-phenyl-4-methyl-2- (1H-pyrrolo [2,3-C ] pyridin-2-ylmethyl) pentan-2-ol derivatives and related compounds as glucocorticoid ligands for the treatment of inflammatory diseases and diabetes BOEHRINGER INGELHEIM PHARMA 2010-09-22 CN disclosed
CN-1976705-A 1,1, 1-trifluoro-4-phenyl-4-methyl-2- (1H-pyrrolo [2, 3-C ] pyridin-2-ylmethyl) pentan-2-ol derivatives and related compounds as glucocorticoid ligands for the treatment of inflammatory diseases and diabetes BOEHRINGER INGELHEIM PHARMA (US) 2007-06-06 CN disclosed
CN-1476446-A Benzodiazepine derivative ֮����ʽ���� 2004-02-18 CN disclosed
CN-1420882-A Substd. oxoazaheterocyclyl compounds AVENTIS PHARM PROD INC (US) 2003-05-28 CN disclosed
CN-1333766-A Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds as factor xainhibitors AVENTIS PHARM PROD INC (US) 2002-01-30 CN disclosed