SCHEMBL9508085

SCHEMBL9508085

CCN(CC)CCCNC(=O)c1ccc(I)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
ALDH1A1 P00352 2/20 0.60
TSHR P16473 2/20 0.60
SLC22A2 O15244 1/20 0.60
SLC22A1 O15245 1/20 0.60
ACHE P22303 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
BLM P54132 2/20 0.58
PMP22 Q01453 1/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58

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
SCHEMBL1209964 0.91 LMNA (0.72) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL28274478 0.86 LMNA (0.61) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL14679112 0.86 L3MBTL1 (0.65) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL9364516 0.85 POLB (0.71) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL2159841 0.85 TSHR (0.83) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL9511746 0.84 HPGD (0.68) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9628332 0.84 NAAA (0.64) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL15320627 0.84 TMEM97 (0.61) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL10379918 0.82 NPC1 (0.70) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL18782285 0.82 L3MBTL1 (0.63) ALDH1A1TSHRSMN1; SMN2FOLH1

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
EP-0458886-B1 AGENTS FOR DIAGNOSING AND TREATING MELANOMAS, AROMATIC HALOGENATED DERIVATIVES USABLE AS SUCH AGENTS AND THEIR PREPARATION INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-10-13 EP claimed