SCHEMBL9511746

SCHEMBL9511746

CN(C)CCCNC(=O)c1ccc(I)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.68
▸ THRA P10827 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NAMPT P43490 2/20 0.53
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL10020214 0.92 HPGD (0.79) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL2926997 0.90 ALDH1A1 (0.63) HPGDTHRATHRBALDH1A1SMN1; SMN2
SCHEMBL2120449 0.85 HPGD (0.70) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL8411545 0.85 HPGD (0.70) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL9508085 0.84 LMNA (0.60) THRBALDH1A1SMN1; SMN2HDAC3HDAC4
SCHEMBL30074575 0.84 HPGD (0.68) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL30074586 0.84 HPGD (0.68) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL30074578 0.84 HPGD (0.68) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL30074576 0.84 HPGD (0.68) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL30074627 0.84 HPGD (0.68) HPGDTHRATHRBALDH1A1KDM4E

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
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