SCHEMBL7474789

SCHEMBL7474789

C/C=C/Cn1c(C)c(CCCCC)c2cn[nH]c(=O)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 4/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 3/20 0.37
KDM4A O75164 1/20 0.37
XDH P47989 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TK1 P04183 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 2/20 0.31
TNF P01375 1/20 0.31

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
SCHEMBL7474791 1.00 KDM4E (0.37) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7477737 0.88 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7477734 0.88 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7479948 0.81 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7479944 0.81 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7478412 0.76 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7479806 0.75
SCHEMBL7479805 0.75
SCHEMBL7478727 0.68 KDM4E (0.39) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7475545 0.67 KDM4E (0.42) KDM4EALDH1A1HSD17B10TSHRLMNA

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