SCHEMBL9811845

SCHEMBL9811845

O=P(O)(O)C(C(=S)Nc1cccc(Cl)c1)P(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
IDO1 P14902 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 2/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
P2RX1 P51575 1/20 0.47
P2RX4 Q99571 1/20 0.47
P2RX7 Q99572 1/20 0.47
FADS1 O60427 1/20 0.47

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
SCHEMBL9435834 0.80 KDM4E (0.46) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL9811864 0.80 ALDH1A1 (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL233680 0.80 CA9 (0.50) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL9811840 0.79 MMP8 (0.57) MEN1KMT2ALMNAMAPTHTT
SCHEMBL9811851 0.78 CA12 (0.61) MEN1KMT2ALMNAMAPTHTT
SCHEMBL9435877 0.77 ALDH1A1 (0.49) ALDH1A1
SCHEMBL29481122 0.74 IDO1 (0.79) MEN1KMT2AMAPTALDH1A1IDO1
SCHEMBL26991 0.74 IDO1 (0.79) MEN1KMT2AMAPTALDH1A1IDO1
SCHEMBL10495948 0.73 MEN1 (0.50) MEN1KMT2ALMNAMAPTHTT
SCHEMBL9435551 0.73 KDR (0.58) MEN1KMT2ALMNAMAPTHTT

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