SCHEMBL5253493

SCHEMBL5253493

O=C(O)c1nn(CCSc2ccccc2)nc1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.45
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL5257722 0.88 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5254786 0.87 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5185693 0.87 ALDH1A1 (0.41) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5187917 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5187022 0.78 MTNR1A (0.45) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5185323 0.77 L3MBTL1 (0.41) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5257291 0.75 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5259863 0.74 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5255060 0.73 SMN1; SMN2 (0.36) SMN1; SMN2KMT2AALDH1A1KDM4EHDAC3
SCHEMBL5257194 0.72 PKM (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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-1798231-A2 Intermediate products for the preparation of antibacterial compounds NOVEXEL (FR) 2007-06-20 — — EP disclosed
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 — — EP disclosed
EP-1399444-A2 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS Aventis Pharma S.A. (FR) 2004-03-24 — — EP disclosed
WO-2002100860-A2 HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-12-19 — — WO disclosed
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