SCHEMBL7474802

SCHEMBL7474802

Cc1c(C)n(CC(F)F)c2c(=O)[nH]ncc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4A O75164 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
METAP2 P50579 2/20 0.38
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.35
TGFBR1 P36897 1/20 0.33

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
SCHEMBL7477781 0.82 KDM4E (0.47) KDM4ELMNATSHRHSD17B10ALDH1A1
SCHEMBL7476320 0.80 KDM4E (0.42) KDM4ELMNATSHRHSD17B10ALDH1A1
SCHEMBL7479984 0.79 KDM4E (0.44) KDM4ELMNATSHRHSD17B10ALDH1A1
SCHEMBL7475545 0.77 KDM4E (0.42) KDM4ELMNATSHRHSD17B10ALDH1A1
SCHEMBL7478981 0.77 KDM4E (0.42) KDM4ELMNATSHRHSD17B10ALDH1A1
SCHEMBL7475189 0.77 KDM4E (0.40) KDM4ELMNATSHRHSD17B10ALDH1A1
SCHEMBL7479948 0.76 ALDH1A1 (0.41) KDM4ELMNATSHRHSD17B10ALDH1A1
SCHEMBL7479944 0.76 ALDH1A1 (0.41) KDM4ELMNATSHRHSD17B10ALDH1A1
SCHEMBL7476910 0.76 KDM4E (0.41) KDM4ELMNATSHRHSD17B10ALDH1A1
SCHEMBL7476256 0.76 KDM4E (0.41) KDM4ELMNATSHRHSD17B10ALDH1A1

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