SCHEMBL3259707

SCHEMBL3259707

CCOC(=O)c1cc2ccccc2n1CC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 6/20 0.71
NOD1 Q9Y239 6/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
KDM4E B2RXH2 5/20 0.68
CRHBP P24387 1/20 0.68
CRHR2 Q13324 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
F10 P00742 3/20 0.62
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
ALDH1A1 P00352 3/20 0.49
TSHR P16473 3/20 0.49
ATM Q13315 2/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.48

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
SCHEMBL28669136 0.90 NOD2 (0.70) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL16201674 0.87 MEN1 (0.74) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL25955240 0.87 NOD2 (0.67) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL7425465 0.87 MEN1 (0.79) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL6752352 0.87 KDM4E (0.71) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL18202169 0.87 MEN1 (0.74) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL30489155 0.86 KDM4E (0.73) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL7423741 0.86 KMT2A (0.73) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL13742183 0.86 KDM4E (0.70) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL18322286 0.86 KDM4E (0.73) NOD2NOD1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794379-A 1H- indole-2-carboxamide derivatives and its preparation method and application 华东师范大学 2018-11-13 CN disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
WO-2006040646-A1 BENZIMIDAZOLE OR INDOLE AMIDES AS INHIBITORS OF PIN1 PFIZER, INC. (US) 2006-04-20 WO disclosed
US-4260628-A 2-Guanidinomethyl-indolines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-04-07 US disclosed
US-4137313-A ANTICOAGULANTS, ANTIPHLOGISTIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1979-01-30 US disclosed