SCHEMBL5683135

SCHEMBL5683135

CC1COc2c(NCCC(P(=O)(O)O)P(=O)(O)O)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 4/20 0.55
TOP2A P11388 3/20 0.55
TOP2B Q02880 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 2/20 0.55
ALB P02768 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
AADAT Q8N5Z0 2/20 0.54
TUBB4A P04350 1/20 0.54
POLB P06746 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54

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
SCHEMBL5683513 0.89 KDM4E (0.44) KDM4EKMT2AALDH1A1TOP2ATOP2B
Hydrochloric Acid SCHEMBL31533308 0.88 KDM4E (0.64) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL29108633 0.86 KDM4E (0.61) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL30542145 0.86 KDM4E (0.61) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL6663406 0.86 KDM4E (0.55) KDM4EKMT2AALDH1A1TOP2ATOP2B
Hydrochloric Acid SCHEMBL30542143 0.85 KDM4E (0.60) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL21606774 0.82 KDM4E (0.61) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL21606904 0.82 KDM4E (0.67) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL23812166 0.81 KDM4E (0.64) KDM4EKMT2AALDH1A1TOP2ATOP2B
SCHEMBL6665285 0.81 KDM4E (0.51) KDM4EKMT2AALDH1A1TOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831869-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2006-02-08 EP claimed
US-5880111-A CHEMOTHERAPWUTIC AGENTS; TREATING PERIODONTAL DISEASE AND URINARY TRACT INFECTIONS FARCASIU DAN (US) 1999-03-09 US claimed