SCHEMBL9701943

SCHEMBL9701943

COC(=O)C(N)Cc1nc2ccccc2nc1CP(=O)(OC)OC

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LAP3 P28838 1/20 0.35

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
SCHEMBL9700745 0.90 CYP1A2 (0.42) KMT2A
SCHEMBL9163760 0.81 TSHR (0.42) KDM4EKMT2AHDAC6L3MBTL1
SCHEMBL9701731 0.80 LTA4H (0.38) LAP3
SCHEMBL9700725 0.78 CYP1A2 (0.43)
SCHEMBL9700956 0.74 TSHR (0.37) KDM4EKMT2AHDAC6L3MBTL1
SCHEMBL1429155 0.72
SCHEMBL9700741 0.72 MIF (0.42) KDM4EKMT2A
SCHEMBL27499561 0.70 KDM4E (0.47) KDM4EKMT2AL3MBTL1
SCHEMBL6774643 0.70 KDM4E (0.47) KDM4EKMT2AL3MBTL1
SCHEMBL9701976 0.70 ALDH1A1 (0.33) KDM4EKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992014740-A1 QUINOXALINE PHOSPHONO-AMINO ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-03 WO disclosed
US-5118675-A Therapy for central nervous system disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-02 US disclosed