SCHEMBL28490652

SCHEMBL28490652

CCCCC(I)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ GRM8 O00222 3/20 0.43
▸ GRM4 Q14833 3/20 0.43
▸ ACP3 P15309 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41

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
SCHEMBL19339253 0.84 L3MBTL1 (0.60) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL8208668 0.82 L3MBTL1 (0.46) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL28488450 0.81 MAPT (0.47) L3MBTL1LMNATSHRCYP3A4SMN1; SMN2
SCHEMBL7732979 0.78 LMNA (0.47) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL11786819 0.78 KMT2A (0.45) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL7732416 0.78 NPSR1 (0.47) L3MBTL1MEN1HPGDKMT2ALMNA
Dinitrophenylene SCHEMBL27897921 0.77 TSHR (0.71) MEN1HPGDKMT2ALMNATSHR
SCHEMBL20921363 0.77 KMT2A (0.56) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL16198943 0.77 GRM8 (0.42) L3MBTL1MEN1HPGDKMT2ALMNA
SCHEMBL27797027 0.77 NPSR1 (0.43) L3MBTL1MEN1HPGDKMT2ALMNA

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
CN-112088151-A Process for producing fluoromethyl derivative 大金工业株式会社 2020-12-15 — — CN disclosed
Send feedback