SCHEMBL29207123

SCHEMBL29207123

S=C(NCc1cccc2cn[nH]c12)Nc1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR174 Q9BXC1 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ MAPT P10636 6/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL30849350 1.00 GPR174 (0.46) GPR174HPGDGLAL3MBTL1KDM4E
SCHEMBL30849357 0.89 MAPT (0.49) HPGDGLAL3MBTL1KDM4EMAPT
SCHEMBL29207165 0.89 MAPT (0.49) HPGDGLAL3MBTL1KDM4EMAPT
SCHEMBL30849349 0.88 MAPT (0.55) HPGDL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL29207126 0.88 MAPKAPK2 (0.46) HPGDGLAL3MBTL1KDM4EMAPT
SCHEMBL29207135 0.88 MAPT (0.55) HPGDL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL30849354 0.88 MAPKAPK2 (0.46) HPGDGLAL3MBTL1KDM4EMAPT
SCHEMBL29207121 0.88 SMN1; SMN2 (0.55) HPGDGLAL3MBTL1KDM4EMAPT
SCHEMBL29207119 0.88 KDM4E (0.51) HPGDGLAL3MBTL1KDM4EMAPT
SCHEMBL30849353 0.88 KDM4E (0.51) HPGDGLAL3MBTL1KDM4EMAPT

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-117800916-A Preparation and application of 1- [ (1H-indazol-7-yl) methyl ] -3-arylthiourea derivative 沈阳药科大学 2024-04-02 — — CN disclosed
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