SCHEMBL9658558

SCHEMBL9658558

O=P(O)(O)C(O)(Cc1cc(-c2ccccc2)no1)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
GGPS1 O95749 2/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 2/20 0.49
FDPS P14324 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.47
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 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
SCHEMBL10475736 0.79 NOTUM (0.63) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13819899 0.75 NOTUM (0.62) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9657404 0.74 FDPS (0.43) FDPSMEN1KMT2APOLB
SCHEMBL24459722 0.73 NOTUM (0.68) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1313626 0.73 NOTUM (1.00) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4142743 0.72 NOTUM (0.67) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13827642 0.72 NOTUM (0.57) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6401623 0.72 NOTUM (0.61) NOTUMNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9656852 0.71 NOTUM (0.56) NOTUMGGPS1NPC1RAB9ASMN1; SMN2
SCHEMBL512927 0.70 MEN1 (0.55) NOTUMNPC1RAB9ASMN1; SMN2LMNA

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-0258618-B1 DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THOSE COMPOUNDS Roche Diagnostics GmbH (DE) 1992-05-06 EP disclosed
US-4777163-A BONE DISORDERS, RHEUMATIC DISEASES BOEHRINGER MANNHEIM GMBH (DE) 1988-10-11 US disclosed
EP-0258618-A2 Diphosphonic acid derivatives, process for their preparation and medicines containing those compounds Roche Diagnostics GmbH (DE) 1988-03-09 EP disclosed