SCHEMBL9790635

SCHEMBL9790635

Cc1csc(NC(P(=O)(O)O)P(=O)(O)O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 1.00
MAPT P10636 2/20 0.50
FDFT1 P37268 1/20 0.49
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
MMP8 P22894 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RCE1 Q9Y256 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL9790646 0.98 FDPS (0.97) FDPSMAPTFDFT1NPC1RAB9A
SCHEMBL9790662 0.89 FDPS (0.80) FDPSMAPTFDFT1NPC1RAB9A
SCHEMBL9790685 0.76 FDPS (0.61) FDPSMAPTNPC1RAB9AHPGD
SCHEMBL13351522 0.74 FDPS (0.59) FDPSMAPTNPC1RAB9AHPGD
SCHEMBL2777930 0.74 FDPS (0.58) FDPSMAPTNPC1RAB9AHPGD
SCHEMBL9790602 0.73 FDPS (0.57) FDPSMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9790564 0.72 FDPS (0.56) FDPSMAPTNPC1RAB9ASMN1; SMN2
Phosphonic Acid SCHEMBL9790670 0.70 FDPS (0.54) FDPSMAPTNPC1RAB9AHPGD
SCHEMBL6222634 0.69 FDPS (0.53) FDPSMAPTFDFT1NPC1RAB9A
SCHEMBL12921530 0.69 FDPS (0.53) FDPSMAPTNPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274346-B1 SUBSTITUTED AMINOMETHANE-DIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP claimed
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
EP-0274346-A1 Substituted aminomethane-diphosphonic acids CIBA-GEIGY AG (CH) 1988-07-13 EP disclosed