SCHEMBL7485703

SCHEMBL7485703

CC(C)=CCn1c(C)c(C)c2cn[nH]c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
KDM4A O75164 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.34
USP2 O75604 1/20 0.34
TPH1 P17752 1/20 0.31
TPH2 Q8IWU9 1/20 0.31
DPP4 P27487 1/20 0.31
ALDH1A2 O94788 1/20 0.30
ALDH2 P05091 1/20 0.30

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
SCHEMBL7475189 0.88 KDM4E (0.40) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7482172 0.88 KDM4E (0.43) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7475545 0.83 KDM4E (0.42) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7479944 0.82 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7479948 0.82 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7479131 0.81 KDM4E (0.41) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7479135 0.81 KDM4E (0.41) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7476256 0.80 KDM4E (0.41) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7478732 0.78 KDM4E (0.39) KDM4EALDH1A1HSD17B10TSHRLMNA
SCHEMBL7478727 0.78 KDM4E (0.39) 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