SCHEMBL9811890

SCHEMBL9811890

COc1ccc(NC(=O)C(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 2/20 0.51
KLK7 P49862 2/20 0.50
TGM2 P21980 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL9811866 0.81 MAPT (0.58) HTTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL2608943 0.79 HTT (0.70) HTTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL9811900 0.77 CA12 (0.55) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL9811837 0.77 NPC1 (0.50) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL147291 0.77 HTT (0.73) HTTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL28662072 0.77 RAB9A (0.63) HTTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL31185236 0.77 HTT (0.68) HTTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL29279417 0.77 HTT (0.68) HTTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL9811910 0.77 POLB (0.55) HTTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4904895 0.76 HTT (0.71) HTTRAB9ANPC1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243173-B1 NEW DIPHOSPHONIC ACID COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP disclosed
US-4963536-A INHIBIT BONE RESORPTION FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-10-16 US disclosed
US-4857513-A Diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISIWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
EP-0243173-A2 New diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 EP disclosed