SCHEMBL9360437

SCHEMBL9360437

O=P(O)(O)CCC(O)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
GGPS1 O95749 1/20 0.31
FDPS P14324 1/20 0.31
CYP2D6 P10635 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL9540529 0.86 S1PR2 (0.34) S1PR2S1PR4S1PR1S1PR3MEN1
SCHEMBL9542022 0.86 S1PR2 (0.34) S1PR2S1PR4S1PR1S1PR3MEN1
SCHEMBL8387674 0.84 POLB (0.35) ALDH1A1
SCHEMBL9540514 0.83 S1PR2 (0.33) S1PR2S1PR4S1PR1S1PR3
SCHEMBL9356540 0.83 S1PR2 (0.31) S1PR2S1PR4S1PR1S1PR3
SCHEMBL9543140 0.82 S1PR2 (0.32) S1PR2S1PR4S1PR1S1PR3
SCHEMBL8387752 0.81 GGPS1 (0.32) GGPS1FDPSPTPN1
Diethyl Hydrogen Phosphate SCHEMBL27400284 0.78 POLB (0.36) ALDH1A1
Phosphonic Acid SCHEMBL9360448 0.76 LMNA (0.35)
SCHEMBL9541630 0.74 CTNNB1 (0.34) MEN1ALDH1A1KMT2AFDPSPTPN1

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
EP-0625873-A1 PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES ZENECA LIMITED (GB) 1994-11-30 EP disclosed
WO-1993015610-A1 PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES ZENECA LIMITED (GB) 1993-08-19 WO disclosed