SCHEMBL6508975

SCHEMBL6508975

Cc1cc(C)nc(N=C(N)Nc2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 4/20 0.53
POLB P06746 3/20 0.53
RAB9A P51151 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CRHBP P24387 5/20 0.52
CRHR2 Q13324 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 1/20 0.52
USP2 O75604 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
MAPK1 P28482 2/20 0.46
PLA2G1B P04054 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL6509097 0.91 MAPK1 (0.54) MEN1KMT2ALMNAPOLBRAB9A
SCHEMBL6506989 0.86 CRHBP (0.70) MEN1KMT2ALMNAPOLBRAB9A
SCHEMBL6509580 0.85 SMN1; SMN2 (0.55) MEN1KMT2ALMNAPOLBRAB9A
SCHEMBL6511099 0.79 CRHBP (0.57) MEN1KMT2ALMNAPOLBRAB9A
SCHEMBL6510020 0.79 CRHBP (0.56) MEN1KMT2ALMNAPOLBRAB9A
SCHEMBL6509984 0.78 MAPK1 (0.54) MEN1KMT2ALMNAPOLBRAB9A
SCHEMBL6512924 0.78 CRHBP (0.68) MEN1KMT2ALMNAPOLBRAB9A
SCHEMBL4979491 0.74 SIGMAR1 (0.66) KMT2ALMNASMN1; SMN2ADRA2ACYP2D6
SCHEMBL6510712 0.74 CRHBP (0.60) MEN1KMT2ALMNAPOLBRAB9A
SCHEMBL5923207 0.72 SMN1; SMN2 (0.52) MEN1KMT2ALMNAPOLBRAB9A

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