SCHEMBL8311469

SCHEMBL8311469

Cc1cc2c(Cl)nnc(OCc3ccccc3)c2n1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
DAPK1 P53355 1/20 0.36
DYRK1A Q13627 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 2/20 0.36
ACHE P22303 2/20 0.36
CNR2 P34972 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35

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
SCHEMBL8313731 0.91 GABRA1 (0.37) ALDH1A1HTTLMNAHPGDTSHR
SCHEMBL8314143 0.88 DYRK1A (0.43) ALDH1A1HTTLMNATSHRMAPK1
SCHEMBL8312429 0.81 ALDH1A1 (0.47) ALDH1A1HTTLMNAHPGDDYRK1A
SCHEMBL8459060 0.79 DYRK1A (0.43) ALDH1A1HTTLMNATSHRMAPK1
SCHEMBL8316587 0.73 ALDH1A1 (0.50) ALDH1A1HTTLMNAHPGDDYRK1A
SCHEMBL8316729 0.72 ALDH1A1 (0.50) ALDH1A1LMNATSHRMAPK1NPSR1
SCHEMBL27384792 0.70 NPSR1 (0.46) ALDH1A1HTTLMNAHPGDTSHR
SCHEMBL27384790 0.70 NPSR1 (0.43) ALDH1A1HTTLMNAHPGDTSHR
SCHEMBL8313783 0.68 MGMT (0.41) ALDH1A1HTTLMNAHPGDTSHR
Fumaric Acid SCHEMBL8318500 0.67 CYP1A2 (0.38) ALDH1A1HTTLMNAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609328-B1 PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION BYK GULDEN LOMBERG CHEM FAB (DE) 1999-04-28 EP disclosed
US-5534515-A Pyrrolopyridazines having gastrointestinal protective effects BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-07-09 US disclosed
WO-1993008190-A1 PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-04-29 WO disclosed