SCHEMBL11387992

SCHEMBL11387992

NC(=O)CO.NC(=O)CO.O=C(CCl)Nc1c(I)c(C(=O)O)c(I)c(C(=O)O)c1I

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 5/20 0.34
TEAD1 P28347 1/20 0.34
YAP1 P46937 1/20 0.34
TEAD4 Q15561 1/20 0.34
TEAD2 Q15562 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 2/20 0.32
NPC1 O15118 2/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 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
SCHEMBL22645201 0.90 TSHR (0.46) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11394886 0.89 TSHR (0.45) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL11147542 0.87 TSHR (0.42) TSHRMAPK1LMNASMN1; SMN2
SCHEMBL11391686 0.84 SMN1; SMN2 (0.41) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL8727104 0.81 TSHR (0.47) TSHRMAPK1LMNASMN1; SMN2
SCHEMBL9787580 0.79 LMNA (0.35) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL11387512 0.78 TSHR (0.47) TSHRMAPK1LMNASMN1; SMN2
SCHEMBL11401032 0.77 LMNA (0.37) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL22661229 0.77 TSHR (0.39) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL8743099 0.76 ALDH1A1 (0.40) TSHRMAPK1LMNASMN1; SMN2ALDH1A1

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-4283381-A OPAQUING AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1981-08-11 US disclosed