SCHEMBL6927985

SCHEMBL6927985

C1=NN=C(SCCN2CCOCC2)NC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36

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 0.87 ALOX15 (0.41) SMN1; SMN2ALDH1A1KDM4EALOX15RXFP1
SCHEMBL6931107 0.85 ALOX15 (0.43) SMN1; SMN2ALDH1A1KDM4EALOX15MAPT
SCHEMBL10726439 0.72 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2HSP90AA1ALDH1A1
Hydrochloric Acid SCHEMBL10730472 0.71 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2HSP90AA1ALDH1A1
SCHEMBL6270984 0.69 HSP90AA1 (0.52) RAB9ANPC1SMN1; SMN2HSP90AA1ALDH1A1
SCHEMBL11623381 0.67 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HSP90AA1ALDH1A1
SCHEMBL25366081 0.64 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL11539203 0.64 MEN1 (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL11657490 0.64 HSP90AA1 (0.50) RAB9ANPC1SMN1; SMN2HSP90AA1ALDH1A1
SCHEMBL11627401 0.64 SIGMAR1 (0.49) RAB9ANPC1SMN1; SMN2HSP90AA1ALDH1A1

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 7 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
EP-0921803-A4 METHODS FOR PREVENTING AND TREATING PESTIVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-04-02 — — EP disclosed
EP-0921803-A1 METHODS FOR PREVENTING AND TREATING PESTIVIRUS INFECTION AND ASSOCIATED DISEASES Viropharma Incorporated (US) 1999-06-16 — — EP disclosed
WO-1998036752-A1 METHODS FOR PREVENTING AND TREATING PESTIVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 1998-08-27 — — WO disclosed
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