SCHEMBL27643249

SCHEMBL27643249

Cc1cc(-c2ccc(F)cc2)c[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.55
ERCC4 Q92889 1/20 0.55
TNKS2 Q9H2K2 1/20 0.42
ACHE P22303 1/20 0.42
GCGR P47871 1/20 0.41
MAPK14 Q16539 1/20 0.41
HMBS P08397 1/20 0.40
NR4A2 P43354 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDO2 P48775 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
AXL P30530 1/20 0.37
KEAP1 Q14145 1/20 0.37
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
TP53 P04637 1/20 0.37
PDPK1 O15530 1/20 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
SCHEMBL28280408 0.83 HMBS (0.48) ERCC1ERCC4ACHEHMBSALDH1A1
SCHEMBL28240618 0.79 NPC1 (0.47) ERCC1ERCC4HMBSALDH1A1POLB
SCHEMBL1126714 0.78 AURKA (0.50) TNKS2HMBSALDH1A1KDM4ESMN1; SMN2
SCHEMBL28250640 0.77 ERCC1 (0.52) ERCC1ERCC4TNKS2MAPK14NR4A2
SCHEMBL28294910 0.74 HMBS (0.39) ERCC1ERCC4HMBSTDO2
SCHEMBL197346 0.72 BCL2L1 (0.55) ACHEPOLBSMN1; SMN2MAPTBCL2L1
SCHEMBL10337645 0.72 BCL2L1 (0.55) ACHEPOLBSMN1; SMN2MAPTBCL2L1
SCHEMBL12562793 0.72 BCL2L1 (0.55) ACHEPOLBSMN1; SMN2MAPTBCL2L1
SCHEMBL10300262 0.72 BCL2L1 (0.55) ACHEPOLBSMN1; SMN2MAPTBCL2L1
SCHEMBL26821699 0.72 BCL2L1 (0.55) ACHEPOLBSMN1; SMN2MAPTBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100349895-C Pyrrolopyridazine derivatives ASTELLAS PHARMA INC (JP) 2007-11-21 CN disclosed
CN-1759117-A Pyrrolopyridazine derivatives ASTELLAS PHARMA INC (JP) 2006-04-12 CN disclosed