SCHEMBL9790602

SCHEMBL9790602

O=P(O)(O)C(Nc1nc(-c2ccccc2)cs1)P(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.57
MAPT P10636 5/20 0.55
GAA P10253 4/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
GFER P55789 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ADORA3 P0DMS8 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPK1 P28482 2/20 0.52
PARP1 P09874 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL9790564 0.99 FDPS (0.56) FDPSMAPTGAAKDM4EALDH1A1
SCHEMBL9790580 0.91 MAPT (0.49) FDPSMAPTGAAKDM4EALDH1A1
SCHEMBL1745407 0.76 MEN1 (0.60) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL19134400 0.75 ROCK2 (0.56) MAPTGAAKDM4EALDH1A1LMNA
Phosphonic Acid SCHEMBL9790585 0.74 MAPT (0.49) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL9790870 0.73 ADORA3 (0.58) FDPSMAPTLMNAMEN1KMT2A
SCHEMBL9745549 0.73 MAPT (0.67) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL12678090 0.73 ELOVL1 (0.60) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL9745568 0.73 MAPT (0.67) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL10700452 0.73 MAPT (0.49) MAPTGAAKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274346-A1 Substituted aminomethane-diphosphonic acids CIBA-GEIGY AG (CH) 1988-07-13 EP claimed
US-5057505-A Treatment of illnesses attributed to calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0282309-A2 Azole-aminomethylene bisphosphonic acid derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-14 EP disclosed