SCHEMBL6931772

SCHEMBL6931772

C1=NN=C(SCCN2CCCC2)NC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL6931107 0.98 ALOX15 (0.43) ALOX15ALDH1A1TSHRLTA4HHTT
SCHEMBL6930586 0.90 HRH3 (0.41) ALOX15HRH3TMEM97TDP1KDM4E
SCHEMBL6927985 0.87 RAB9A (0.43) ALOX15ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL25366774 0.69 ALDH1A1 (0.42) ALOX15ALDH1A1TSHRLTA4HHTT
SCHEMBL10728546 0.69 ALDH1A1 (0.50) ALOX15ALDH1A1TSHRLTA4HHTT
SCHEMBL25366474 0.68 ALOX15 (0.43) ALOX15ALDH1A1TSHRLTA4HHTT
SCHEMBL22498087 0.68 ALDH1A1 (0.49) ALOX15ALDH1A1TSHRLTA4HHTT
SCHEMBL25369656 0.68 ALOX15 (0.43) ALOX15ALDH1A1TSHRLTA4HHTT
Hydrochloric Acid SCHEMBL10730479 0.68 ALDH1A1 (0.49) ALOX15ALDH1A1TSHRLTA4HHRH3
SCHEMBL25366918 0.67 ALDH1A1 (0.41) ALOX15ALDH1A1TSHRLTA4HHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921803-A4 METHODS FOR PREVENTING AND TREATING PESTIVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-04-02 — — EP claimed
JP-2000501433-A — — 2000-02-08 — — JP claimed
EP-0921803-A1 METHODS FOR PREVENTING AND TREATING PESTIVIRUS INFECTION AND ASSOCIATED DISEASES Viropharma Incorporated (US) 1999-06-16 — — EP claimed
WO-1998036752-A1 METHODS FOR PREVENTING AND TREATING PESTIVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 1998-08-27 — — WO claimed
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