SCHEMBL6270984

SCHEMBL6270984

c1cnc(SCCN2CCOCC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.52
▸ RAB9A P51151 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM1A O60341 1/20 0.42

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
SCHEMBL11623381 0.74 RAB9A (0.50) HSP90AA1RAB9AALDH1A1MAPK1HPGD
SCHEMBL11539203 0.74 MEN1 (0.66) RAB9AALDH1A1MAPK1KDM4ELMNA
SCHEMBL9211562 0.72 RAB9A (0.68) RAB9AALDH1A1MAPK1HPGDLMNA
SCHEMBL238772 0.72 RXFP1 (0.51) HSP90AA1RAB9AALDH1A1MAPK1HPGD
Hydrochloric Acid SCHEMBL11534952 0.72 MEN1 (0.69) RAB9AALDH1A1KDM4EPOLBNPC1
SCHEMBL6270956 0.72 ALDH1A1 (0.47) RAB9AALDH1A1MAPK1HPGDKDM4E
SCHEMBL11657490 0.70 HSP90AA1 (0.50) HSP90AA1RAB9AALDH1A1MAPK1HPGD
SCHEMBL6927985 0.69 RAB9A (0.43) HSP90AA1RAB9AALDH1A1MAPK1HPGD
Fopirtoline SCHEMBL287363 0.69 RAB9A (0.49) HSP90AA1RAB9AALDH1A1MAPK1HPGD
SCHEMBL2669123 0.69 RAB9A (0.44) HSP90AA1RAB9AALDH1A1MAPK1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056771-B1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-11-30 — — EP disclosed
EP-1056771-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2000-12-06 — — EP disclosed
WO-1999043699-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-09-02 — — WO disclosed
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