SCHEMBL11670929

SCHEMBL11670929

OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.61
▸ DNM1 Q05193 1/20 0.52
▸ CHRM2 P08172 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PTPRA P18433 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PNP P00491 1/20 0.40

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
SCHEMBL11671562 0.87 CYP1A2 (0.60) KDM4EDNM1CHRM2SMN1; SMN2ALDH1A1
SCHEMBL19396668 0.82 KDM4E (0.71) KDM4EDNM1CHRM2SMN1; SMN2ALDH1A1
SCHEMBL5506201 0.80 KDM4E (0.47) KDM4EDNM1CHRM2SMN1; SMN2ALDH1A1
SCHEMBL31721107 0.79 KDM4E (0.67) KDM4EDNM1CHRM2SMN1; SMN2ALDH1A1
SCHEMBL1883794 0.79 KDM4E (0.67) KDM4EDNM1CHRM2SMN1; SMN2ALDH1A1
SCHEMBL7160696 0.77 BCHE (0.51) KDM4EDNM1ALDH1A1CYP1A2
SCHEMBL7689676 0.77 BCHE (0.51) KDM4EDNM1ALDH1A1CYP1A2
SCHEMBL20024581 0.76 KDM4E (0.63) KDM4EDNM1CHRM2SMN1; SMN2ALDH1A1
SCHEMBL28860787 0.76 KDM4E (0.63) KDM4EDNM1CHRM2SMN1; SMN2ALDH1A1
SCHEMBL13939066 0.76 KDM4E (0.63) KDM4EDNM1CHRM2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4021539-A Skin treating cosmetic compositions containing N-polyhydroxyalkyl-amines HENKEL & CIE G.M.B.H. (DT) 1977-05-03 — — US disclosed
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