SCHEMBL9528360

SCHEMBL9528360

CCCCC(CNc1nc(C)c(OC(=O)OCC)c(C)n1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ MMP8 P22894 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ METAP1 P53582 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CASR P41180 1/20 0.33

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
SCHEMBL9530343 0.92 POLB (0.36) RAB9ANPSR1POLBSMN1; SMN2NPC1
SCHEMBL9527604 0.91 FAAH (0.36) RAB9APOLBSMN1; SMN2NPC1LMNA
SCHEMBL9528551 0.89 POLB (0.38) RAB9ANPSR1POLBSMN1; SMN2NPC1
SCHEMBL9528238 0.88 POLB (0.37) RAB9ANPSR1POLBSMN1; SMN2NPC1
SCHEMBL9527618 0.88 PKM (0.38) RAB9ANPSR1POLBSMN1; SMN2NPC1
SCHEMBL9528908 0.86 NCEH1 (0.41) POLBKLK7KMT2AALDH1A1
SCHEMBL9528478 0.86 ASAH1 (0.39) RAB9APOLBSMN1; SMN2NPC1LMNA
SCHEMBL9530047 0.85 MAPT (0.34) RAB9ANPSR1SMN1; SMN2ALOX5KLK7
SCHEMBL9528699 0.85 HTT (0.39) RAB9ANPSR1POLBSMN1; SMN2NPC1
SCHEMBL10368162 0.83 METAP1 (0.37) POLBSMN1; SMN2LMNAKDM4ETSHR

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-0319170-B1 ACYL DERIVATIVES OF HYDROXY PYRIMIDINES PFIZER INC. (US) 1993-03-17 — — EP claimed
US-4940712-A Derivatives of hydroxyprimidines as leukotriene synthesis inhibitors PFIZER INC. (US) 1990-07-10 — — US claimed
EP-0319170-B1 ACYL DERIVATIVES OF HYDROXY PYRIMIDINES PFIZER INC. (US) 1993-03-17 — — EP disclosed
US-4940712-A Derivatives of hydroxyprimidines as leukotriene synthesis inhibitors PFIZER INC. (US) 1990-07-10 — — US disclosed
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