SCHEMBL7478196

SCHEMBL7478196

CC=CCn1c(C)c(C)c2cnnc(CCc3ccccc3)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
NOD1 Q9Y239 2/20 0.34
TNF P01375 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CXCL8 P10145 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
NOD2 Q9HC29 1/20 0.34
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
FABP4 P15090 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7478191 1.00 ALDH1A1 (0.34) ALDH1A1NOD1TNFLMNATP53
SCHEMBL7474361 0.89 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7474358 0.89 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7479975 0.87 MEN1 (0.36) ALDH1A1NOD1TNFLMNATP53
SCHEMBL7481101 0.80 CYP1A2 (0.52) ALDH1A1NOD1LMNATP53MAPT
SCHEMBL7481098 0.80 CYP1A2 (0.52) ALDH1A1NOD1LMNATP53MAPT
SCHEMBL7483012 0.79 CYP1A2 (0.39) ALDH1A1HPGDMEN1KMT2AFABP4
SCHEMBL7473746 0.78 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7473744 0.78 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7474835 0.77 CYP1A2 (0.54) ALDH1A1HPGDMEN1KMT2AFABP4

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

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