SCHEMBL8587455

SCHEMBL8587455

CSc1cccc(OP(=O)(O)C(=S)P(=O)(O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SRC P12931 2/20 0.36
MAPT P10636 3/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM4 Q14833 1/20 0.33

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
SCHEMBL8091468 0.81 PLK1 (0.36) SMN1; SMN2ALDH1A1HPGDTSHRNPSR1
SCHEMBL8586119 0.75 ALDH1A1 (0.55) ALDH1A1HPGDTSHRHSD17B10
SCHEMBL11248881 0.75 ALDH1A1 (0.40) SMN1; SMN2RAB9AALDH1A1TP53HPGD
SCHEMBL11248878 0.75 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AALDH1A1TP53HPGD
SCHEMBL8587107 0.73 SRC (0.42) SMN1; SMN2ALDH1A1HPGDSRCMAPT
SCHEMBL11252416 0.70 ALDH1A1 (0.55) SMN1; SMN2RAB9AALDH1A1TP53HPGD
SCHEMBL8589535 0.70 TSHR (0.38) SMN1; SMN2ALDH1A1TP53HPGDTSHR
SCHEMBL8083418 0.69 ACP3 (0.42) HPGDLMNA
SCHEMBL8589340 0.69 BLM (0.37) SMN1; SMN2RAB9AALDH1A1NPC1GAA
SCHEMBL8587462 0.69 MMP2 (0.33) SMN1; SMN2RAB9ATSHRSRCNPC1

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-0594857-B1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 1998-04-29 EP disclosed
US-5683992-A TREATMENT OF RHEUMATISM, BONE DISORDERS, ANTIINFLAMMATORY, SUPPRESSION OF INTERLEUKIN-1, ANTIOXIDANT, TREATMENT OF AUTOIMMUNE DISEASES TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
US-5527940-A SUPPRESSES INTERLEUKIN-1 AND BONE DESTRUCTION DURING OSTEOPOROSIS; ANTIINFLAMMATORY AGENTS TORAY INDUSTRIES, INC. (JP) 1996-06-18 US disclosed
EP-0594857-A1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-05-04 EP disclosed