SCHEMBL8727218

SCHEMBL8727218

N=C(N)NNC(=O)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.61
▸ HDAC8 Q9BY41 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ PLK1 P53350 1/20 0.59
▸ DEGS1 O15121 1/20 0.55
▸ NR4A1 P22736 1/20 0.52
▸ NR4A2 P43354 1/20 0.52
▸ NR4A3 Q92570 1/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ KDM4E B2RXH2 4/20 0.50
▸ POLB P06746 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ GFER P55789 1/20 0.49
▸ PLAU P00749 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL6635701 0.89 MMP3 (0.74) MMP3HDAC8ALDH1A1SMN1; SMN2HPGD
SCHEMBL30071626 0.84 MMP3 (0.62) MMP3HDAC8ALDH1A1SMN1; SMN2HPGD
SCHEMBL3100592 0.84 MMP3 (0.62) MMP3HDAC8ALDH1A1SMN1; SMN2HPGD
Guanidine SCHEMBL27689978 0.83 MMP3 (0.61) MMP3HDAC8ALDH1A1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL7110749 0.83 MMP3 (0.61) MMP3HDAC8ALDH1A1SMN1; SMN2HPGD
SCHEMBL6633131 0.81 ALDH1A1 (0.82) MMP3HDAC8ALDH1A1SMN1; SMN2HPGD
SCHEMBL6633920 0.81 MMP3 (0.62) MMP3HDAC8ALDH1A1SMN1; SMN2HPGD
SCHEMBL15126359 0.79 PLK1 (0.73) MMP3HDAC8ALDH1A1SMN1; SMN2HPGD
SCHEMBL1794660 0.79 MMP3 (0.65) MMP3HDAC8ALDH1A1SMN1; SMN2HPGD
SCHEMBL5456246 0.79 CA1 (0.71) ALDH1A1SMN1; SMN2HPGDRAB9AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750545-A EXHIBIT EOSINOPHIL-INHIBITORY ACTION AND LYMPHOCYTE ACTIVATION-INHIBITORY ACTION; USEFUL FOR TREATMENT OF IMMUNE-RELATED DISEASES THE GREEN CROSS CORPORATION (JP) 1998-05-12 — — US disclosed
EP-0710654-A1 TRIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-08 — — EP disclosed
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