SCHEMBL5457963

SCHEMBL5457963

O=C1CN(c2ccccc2)CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ACLY P53396 1/20 0.39
MAPT P10636 3/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AKR1C3 P42330 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6362594 0.80 LMNA (0.53) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL6362033 0.80 LMNA (0.44) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL3838526 0.78 NPC1 (0.45) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL6362099 0.72 LMNA (0.44) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL802947 0.72 NPC1 (0.44) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL21777356 0.70 NPC1 (0.50) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL12913706 0.69 CYP1A2 (0.55) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL12913707 0.69 VDR (0.56) LMNANPC1RAB9AACLYMAPT
SCHEMBL2011850 0.69 NPC1 (0.42) LMNANPC1RAB9AMAPTCYP2C9
SCHEMBL22269219 0.67 MAPT (0.36) LMNANPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110054631-A Bromo- 4- chlorine furans [2,3-b] quinoline of 2-, derivative and synthetic method and application 中国药科大学 2019-07-26 CN disclosed
EP-1317013-B1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEM CORP (JP) 2017-03-15 EP disclosed
US-20070009831-A1 PLANOGRAPHIC PRINTING PLATE MATERIAL AND IMAGE FORMATION METHOD KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-01-11 US disclosed
US-6942948-B2 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-09-13 US disclosed
CN-1215595-C Nonaqueous electrolyte and secondary battery using the same MITSUBISHI CHEM CORP (JP) 2005-08-17 CN disclosed
CN-1465117-A Nonaqueous electrolyte and secondary battery using the same MITSUBISHI CHEM CORP (JP) 2003-12-31 CN disclosed
US-20030165733-A1 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2003-09-04 US disclosed
EP-1317013-A1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-06-04 EP disclosed
WO-2002004020-A2 PATHOGEN RESISTANCE IN ORGANISMS MPB COLOGNE GMBH (DE) 2002-01-17 WO disclosed
EP-0367233-A2 Process for the preparation of 2-(2-thienyl)-ethylamine and derivatives thereof OCCIDENTAL CHEMICAL CORPORATION (US) 1990-05-09 EP disclosed
US-4874876-A ACYLATING THIOPHENE, REDUCING, HYDROLYZING OCCIDENTAL CHEMICAL CORPORATION (US) 1989-10-17 US disclosed