SCHEMBL9696073

SCHEMBL9696073

CC(C(=O)O)c1c(I)cc(I)c(N)c1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
CYP2C9 P11712 2/20 0.49
HIF1A Q16665 2/20 0.49
CHRM1 P11229 1/20 0.49
TBXA2R P21731 1/20 0.49
PDE4A P27815 1/20 0.49
ADRA1A P35348 1/20 0.49
CYP1A2 P05177 1/20 0.49
TDP1 Q9NUW8 1/20 0.33
TPMT P51580 1/20 0.31
PTGS2 P35354 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.30
PTGS1 P23219 2/20 0.30
CXCR1 P25024 2/20 0.30
CXCR2 P25025 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
RECQL P46063 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL9637089 0.75 TTR (0.42) LMNACYP2C9HIF1ACYP1A2PTGS2
SCHEMBL7593765 0.72 LMNA (0.40) LMNACYP2C9HIF1ACHRM1TBXA2R
SCHEMBL29181466 0.72 LMNA (0.50) LMNACYP2C9HIF1ACHRM1TBXA2R
SCHEMBL5572703 0.69 TDP1 (0.31) LMNACYP2C9HIF1ACHRM1TBXA2R
SCHEMBL124763 0.67 TSHR (0.46) LMNACYP2C9HIF1ACHRM1TBXA2R
SCHEMBL29394151 0.67 TSHR (0.46) LMNACYP2C9HIF1ACHRM1TBXA2R
SCHEMBL1000705 0.67 KDM4E (0.44) LMNACYP2C9HIF1ACYP1A2TDP1
SCHEMBL31086817 0.67 TPMT (0.41) LMNACYP2C9HIF1ACHRM1TBXA2R
SCHEMBL3831237 0.66 LMNA (0.43) LMNACYP2C9HIF1ACHRM1TBXA2R
Iopanoic Acid SCHEMBL38976 0.66 LMNA (1.00) LMNACYP2C9HIF1ACHRM1TBXA2R

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
US-5093042-A Site-specific for liver; diagnosis of metastatic cancer THE UNIVERSITY OF MICHIGAN (US) 1992-03-03 US disclosed
US-4957729-A CONTRAST THE UNIVERSITY OF MICHIGAN (US) 1990-09-18 US disclosed
US-4873075-A SITE-SPECIFIC TO LIVER AND HEPATOCYTE; SCINTIGRAPHY IMAGING THE UNIVERSITY OF MICHIGAN (US) 1989-10-10 US disclosed