SCHEMBL6931107

SCHEMBL6931107

C1=NN=C(SCCN2CCCCC2)NC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HRH3 Q9Y5N1 4/20 0.33
▸ DCTPP1 Q9H773 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 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
SCHEMBL6931772 0.98 ALOX15 (0.41) ALOX15HTTALDH1A1TSHRLTA4H
SCHEMBL6930586 0.91 HRH3 (0.41) ALOX15TMEM97HRH3TDP1KDM4E
SCHEMBL6927985 0.85 RAB9A (0.43) ALOX15ALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL25369656 0.70 ALOX15 (0.43) ALOX15HTTALDH1A1TSHRLTA4H
SCHEMBL22498087 0.70 ALDH1A1 (0.49) ALOX15HTTALDH1A1TSHRLTA4H
SCHEMBL25366474 0.70 ALOX15 (0.43) ALOX15HTTALDH1A1TSHRLTA4H
SCHEMBL10725688 0.70 ALDH1A1 (0.49) ALOX15HTTALDH1A1TSHRLTA4H
Hydrochloric Acid SCHEMBL10728227 0.69 ALDH1A1 (0.47) ALOX15HTTALDH1A1TSHRCYP1A2
SCHEMBL25366774 0.68 ALDH1A1 (0.42) ALOX15HTTALDH1A1TSHRLTA4H
SCHEMBL10728546 0.68 ALDH1A1 (0.50) ALOX15HTTALDH1A1TSHRLTA4H

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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