SCHEMBL6610171

SCHEMBL6610171

NC(=O)CN1N=CC=Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SCN4A P35499 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
P2RX4 Q99571 14/20 0.37
P2RX1 P51575 5/20 0.36
P2RX3 P56373 5/20 0.36
P2RX7 Q99572 2/20 0.36
PTBP1 P26599 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34

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
SCHEMBL7333680 0.86 P2RX4 (0.40) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL11709130 0.80 MAPK1 (0.34) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL9471391 0.80 LMNA (0.34) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL27574649 0.79 MEN1 (0.41) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL7334705 0.78 LMNA (0.51) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL6584861 0.77 ERCC5 (0.39) P2RX4P2RX1P2RX3P2RX7PTBP1
SCHEMBL4481010 0.75 CHRM2 (0.39) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5412229 0.74 LMNA (0.44) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL15865153 0.74 LMNA (0.40) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL7492324 0.73 L3MBTL1 (0.34) LMNATSHRSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1074216-A Urea derivative GLAXO GROUP LTD (GB) 1993-07-14 CN claimed
EP-2850068-A1 GPR17 RECEPTOR MODULATORS. Universita' degli Studi di Milano (IT) 2015-03-25 EP disclosed
WO-2013167177-A1 GPR17 RECEPTOR MODULATORS. UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2013-11-14 WO disclosed
EP-1027042-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-08-18 EP disclosed
EP-1027042-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-16 EP disclosed
WO-2000014073-A1 BENZODIAZEPINONE DERIVATIVES, PREPARATION METHOD AND INTERMEDIATES THEREFOR, USE AS MEDICINES AND COMPOSITIONS HOECHST MARION ROUSSEL (FR) 2000-03-16 WO disclosed
WO-1999018951-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-04-22 WO disclosed
CN-1093085-A Sulfonamide derivatives GLAXO GROUP LTD (GB) 1994-10-05 CN disclosed
CN-1074216-A Urea derivative GLAXO GROUP LTD (GB) 1993-07-14 CN disclosed