SCHEMBL6509580

SCHEMBL6509580

Cc1cccc(N=C(N)Nc2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
LMNA P02545 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
PLA2G1B P04054 1/20 0.55
ALOX12 P18054 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 3/20 0.48
USP2 O75604 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
CRHBP P24387 5/20 0.48
CRHR2 Q13324 5/20 0.48
MAPT P10636 2/20 0.48
GRM5 P41594 1/20 0.47
ADRA2A P08913 3/20 0.47
ADRA2B P18089 3/20 0.47

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
SCHEMBL6509984 0.90 MAPK1 (0.54) SMN1; SMN2LMNAMEN1KMT2ANPSR1
SCHEMBL6513445 0.85 CRHBP (0.65) SMN1; SMN2LMNAMEN1KMT2ANPSR1
SCHEMBL6508975 0.85 MEN1 (0.53) SMN1; SMN2LMNAMEN1KMT2ANPSR1
SCHEMBL6509097 0.78 MAPK1 (0.54) SMN1; SMN2LMNAMEN1KMT2ANPSR1
SCHEMBL4979491 0.76 SIGMAR1 (0.66) SMN1; SMN2LMNAKMT2AADRA2A
SCHEMBL6512924 0.75 CRHBP (0.68) SMN1; SMN2LMNAMEN1KMT2ANPSR1
SCHEMBL6510712 0.73 CRHBP (0.60) SMN1; SMN2LMNAMEN1KMT2ANPSR1
SCHEMBL5922903 0.71 KMT2A (0.72) SMN1; SMN2LMNAMEN1KMT2ANPSR1
SCHEMBL6506989 0.70 CRHBP (0.70) SMN1; SMN2LMNAMEN1KMT2ANPSR1
SCHEMBL6512853 0.67 SIGMAR1 (0.72) SMN1; SMN2LMNAMEN1KMT2ANPSR1

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-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 WO claimed