SCHEMBL9435834

SCHEMBL9435834

O=P(O)(O)C(C(=S)Nc1ccc(Cl)cc1)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA2 P00918 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
EPHX1 P07099 2/20 0.45
CNR1 P21554 2/20 0.45
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOX1 Q9Y5S8 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL9811856 0.82 CA12 (0.53) MAPTMEN1KMT2AMMP8NPC1
SCHEMBL9811859 0.82 CA12 (0.53) MAPTMEN1KMT2ACA2MMP2
SCHEMBL233680 0.81 CA9 (0.50) KDM4EMEN1KMT2ACA2MMP8
SCHEMBL9811840 0.81 MMP8 (0.57) KDM4EMAPTMEN1KMT2ACA2
SCHEMBL9811848 0.81 SMN1; SMN2 (0.50) KDM4EMAPTMEN1KMT2ACA2
SCHEMBL9811845 0.80 MEN1 (0.53) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL9811837 0.80 NPC1 (0.50) MEN1KMT2ACA2MMP2MMP9
SCHEMBL9811871 0.78 IDO1 (0.50) KDM4EMAPTMEN1KMT2AMMP2
SCHEMBL9811870 0.78 CA12 (0.57) MMP2NPC1RAB9A
SCHEMBL9811865 0.77 KDM4E (0.48) KDM4EMEN1KMT2ACA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586521-A1 CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS THE PROCTER & GAMBLE COMPANY (US) 1994-03-16 EP disclosed
WO-1992021355-A1 CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS THE PROCTER & GAMBLE COMPANY (US) 1992-12-10 WO disclosed
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