SCHEMBL27804634

SCHEMBL27804634

c1ccc(Cc2ccnn2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.52
KDM4C Q9H3R0 2/20 0.52
KDM5B Q9UGL1 2/20 0.52
KDM2B Q8NHM5 1/20 0.52
POLB P06746 1/20 0.50
HSP90AA1 P07900 1/20 0.47
CALM1 P0DP23 1/20 0.41
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C8 P10632 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C18 P33260 1/20 0.39
MDM2 Q00987 2/20 0.38
TP53 P04637 1/20 0.38
IDH1 O75874 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16815749 0.78 POLB (0.52) KDM5AKDM4CKDM5BKDM2BPOLB
SCHEMBL23116885 0.78 POLB (0.52) POLBHSP90AA1CYP19A1CYP2C9CYP2C19
SCHEMBL1906019 0.78 POLB (0.52) POLBCYP2C9CYP2C8CYP2C19CYP2C18
SCHEMBL2987627 0.76 POLB (0.48) KDM5AKDM4CKDM5BKDM2BPOLB
SCHEMBL4859521 0.76 POLB (0.48) KDM5AKDM4CKDM5BPOLBCYP2C9
SCHEMBL7757122 0.74 KDM5A (0.43) KDM5AKDM4CKDM5BKDM2BCALM1
SCHEMBL27239129 0.74 POLB (0.47) POLBCYP2C9CYP2C8CYP2C19CYP2C18
SCHEMBL27323137 0.74 POLB (0.47) POLBHSP90AA1CYP2C9CYP2C19MDM2
SCHEMBL7109626 0.74 POLB (0.47) KDM5AKDM4CKDM5BKDM2BPOLB
SCHEMBL2596939 0.72 KDM5A (0.41) KDM5AKDM4CKDM5BKDM2BCALM1

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
CN-101687809-A Transition metal catalyzed synthesis of 2H-indazoles SANOFI AVENTIS 2010-03-31 CN claimed