SCHEMBL5799397

SCHEMBL5799397

Cc1cc(C(=O)Cc2ccc(=O)[nH]n2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
SRC P12931 1/20 0.35
HTR2A P28223 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRM4 Q14833 1/20 0.34
RORC P51449 1/20 0.33
HTR7 P34969 1/20 0.33
NTRK1 P04629 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
SCHEMBL4245618 0.80 RAB9A (0.51) KMT2AKDM4ERAB9AMEN1NPC1
SCHEMBL5795729 0.78 CTNNB1 (0.47) KMT2AKDM4EMEN1LMNAHPGD
SCHEMBL5797417 0.75 PIM1 (0.46) PIM1KMT2AKDM4EPOLBRAB9A
SCHEMBL5798675 0.74 CYP1A2 (0.43) KMT2AKDM4EPOLBRAB9AMEN1
SCHEMBL4240902 0.73 AKR1B1 (0.45) KMT2ARAB9AMEN1NPC1HTR2A
SCHEMBL6282334 0.71 PIM1 (0.50) PIM1KMT2AKDM4EPOLBRAB9A
SCHEMBL5798754 0.70 PIM1 (0.40) PIM1KMT2AKDM4EPOLBRAB9A
SCHEMBL4621038 0.70 PIM1 (0.55) PIM1KMT2AKDM4EPOLBMEN1
SCHEMBL8256684 0.70 PIM1 (0.55) PIM1KMT2AKDM4EPOLBMEN1
SCHEMBL29977610 0.69 GSK3B (0.55) PIM1KMT2AKDM4EPOLBSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 WO disclosed