SCHEMBL9700741

SCHEMBL9700741

CCOC(=O)C(Cc1nc2ccccc2nc1CP(=O)(OC)OC)N=Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.42
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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 0.79 CYP1A2 (0.42) MEN1KMT2ANPC1CYP1A2CYP2C9
SCHEMBL13925577 0.74 MIF (0.66) MIFALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13925571 0.74 MIF (0.66) MIFALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7468752 0.72 MIF (0.58) MIFALDH1A1MEN1KMT2AKDM4E
SCHEMBL7468742 0.72 MIF (0.58) MIFALDH1A1MEN1KMT2AKDM4E
SCHEMBL9163760 0.72 TSHR (0.42) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL13925578 0.72 MIF (0.70) MIFALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9701943 0.72 KDM4E (0.38) KMT2AKDM4E
SCHEMBL8470843 0.70 MIF (0.50) MIFALDH1A1MEN1KMT2AKDM4E
SCHEMBL8306398 0.70 MIF (0.50) MIFALDH1A1MEN1KMT2AKDM4E

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