SCHEMBL7476572

SCHEMBL7476572

Cc1[nH]c2c(OCc3ccccc3)nncc2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 4/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
MAOA P21397 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 2/20 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
SCHEMBL7480371 0.87 CYP1A2 (0.49) MAPTLMNAHTTCYP1A2CYP3A4
SCHEMBL5811682 0.81 MAOA (0.47) L3MBTL1MAPK1MAPTTDP1LMNA
SCHEMBL2771388 0.77 AOC3 (0.49) L3MBTL1MAPK1MAPTTDP1LMNA
Hydrochloric Acid SCHEMBL2768923 0.76 AOC3 (0.51) L3MBTL1MAPK1MAPTTDP1LMNA
SCHEMBL30417592 0.73 NPSR1 (0.48) L3MBTL1MAPK1MAPTTDP1LMNA
SCHEMBL7677829 0.73 NPSR1 (0.48) L3MBTL1MAPK1MAPTTDP1LMNA
SCHEMBL11115687 0.71 MAPT (0.60) L3MBTL1MAPK1MAPTTDP1ALDH1A1
SCHEMBL7481745 0.70 CYP1A2 (0.51) L3MBTL1MAPK1MAPTTDP1LMNA
SCHEMBL8112364 0.69 EGFR (0.36) L3MBTL1MAPK1MAPTTDP1LMNA
SCHEMBL7487573 0.69 CYP1A2 (0.57) L3MBTL1MAPK1MAPTTDP1LMNA

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-0742218-B1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO CO (JP) 2002-12-04 EP disclosed
US-6063782-A Pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2000-05-16 US disclosed
EP-0742218-A1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1996-11-13 EP disclosed