SCHEMBL6165893

SCHEMBL6165893

[c]1nc(Cc2ccccn2)co1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LIN28A Q9H9Z2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MBOAT4 Q96T53 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL29830938 0.78 L3MBTL1 (0.59) L3MBTL1ASIC3HRH3HRH1HRH4
SCHEMBL41191 0.78 L3MBTL1 (0.59) L3MBTL1ASIC3HRH3HRH1HRH4
Bromide SCHEMBL6114859 0.76 L3MBTL1 (0.57) L3MBTL1ASIC3HRH3HRH1HRH4
SCHEMBL29715188 0.76 L3MBTL1 (0.57) L3MBTL1ASIC3HRH3HRH1HRH4
SCHEMBL4938207 0.76 L3MBTL1 (0.57) L3MBTL1ASIC3HRH3HRH1HRH4
Ammonia Solution, Strong SCHEMBL6176560 0.76 L3MBTL1 (0.57) L3MBTL1ASIC3HRH3HRH1HRH4
Hydrochloric Acid SCHEMBL10884973 0.76 L3MBTL1 (0.57) L3MBTL1ASIC3HRH3HRH1HRH4
SCHEMBL4938201 0.76 L3MBTL1 (0.57) L3MBTL1ASIC3HRH3HRH1HRH4
SCHEMBL5759780 0.75 SMN1; SMN2 (0.42) HRH1LMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL580640 0.74 L3MBTL1 (0.52) L3MBTL1ASIC3HRH3HRH1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417177-A4 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-10-19 EP disclosed
EP-1417177-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
WO-2003007883-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-30 WO disclosed
EP-1071668-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Du Pont Pharmaceuticals Company (US) 2001-01-31 EP disclosed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO disclosed