SCHEMBL9787580

SCHEMBL9787580

NC(=O)CO.NC(=O)CO.NC(=O)CO.O=C(O)c1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9787605 0.95 LMNA (0.32) LMNAKDM4EGMNNUSP2ALDH1A1
SCHEMBL9787543 0.84 LMNA (0.35) LMNAKDM4EGMNNUSP2ALDH1A1
SCHEMBL9787544 0.84 LMNA (0.35) LMNAKDM4EGMNNUSP2ALDH1A1
Hydrochloric Acid SCHEMBL9787533 0.82 LMNA (0.34) LMNAKDM4EGMNNUSP2ALDH1A1
SCHEMBL9787658 0.82 LMNA (0.34) LMNAKDM4EGMNNUSP2ALDH1A1
SCHEMBL4587818 0.81 TPMT (0.41) LMNAKDM4EALDH1A1TP53CYP1A2
SCHEMBL5805414 0.79 LMNA (0.38) LMNAKDM4EGMNNUSP2ALDH1A1
SCHEMBL11387992 0.79 TSHR (0.40) LMNAALDH1A1HPGDSMN1; SMN2TSHR
Monoethanolamine SCHEMBL9787617 0.78 TSHR (0.38) LMNAALDH1A1BLMSMN1; SMN2TPMT
Hydrochloric Acid SCHEMBL9787611 0.78 TPMT (0.39) LMNATP53CYP1A2TPMTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047228-A X-ray contrast; medical diagnosis SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed