SCHEMBL6512924

SCHEMBL6512924

COc1cc(C)nc(N=C(N)Nc2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 5/20 0.68
CRHR2 Q13324 5/20 0.68
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 3/20 0.61
POLB P06746 3/20 0.61
RAB9A P51151 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPK1 P28482 2/20 0.53
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
CAMK2D Q13557 1/20 0.49

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
SCHEMBL6510712 0.93 CRHBP (0.60) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL6510790 0.79 LMNA (0.71) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL10498926 0.79 CRHBP (0.83) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL6508975 0.78 MEN1 (0.53) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL6513368 0.76 CRHBP (1.00) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL6509580 0.75 SMN1; SMN2 (0.55) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL9621876 0.75 CRHBP (0.52) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL9621874 0.75 CRHBP (0.52) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL5923234 0.74 SMN1; SMN2 (0.48) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL6509463 0.73 CRHBP (0.58) CRHBPCRHR2MEN1KMT2ALMNA

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