SCHEMBL9529753

SCHEMBL9529753

CCCC(CNc1nc(C)c(OC(=O)N(C)C)c(C)n1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ NCEH1 Q6PIU2 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL9528908 0.94 NCEH1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4NCEH1
SCHEMBL9527810 0.87 PKM (0.39) ALDH1A1PKMKMT2ARAB9ASMN1; SMN2
SCHEMBL9528133 0.86 NCEH1 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4NCEH1
SCHEMBL9527715 0.85 MAPT (0.35) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9530047 0.82 MAPT (0.34) ALDH1A1PKMKMT2ARAB9ASMN1; SMN2
SCHEMBL9528551 0.81 POLB (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10367949 0.81 METAP1 (0.35) ALDH1A1KMT2ATSHR
SCHEMBL9528238 0.80 POLB (0.37) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9527618 0.80 PKM (0.38) ALDH1A1PKMKMT2ANPC1RAB9A
Phosphoric Acid SCHEMBL10367955 0.80 GAA (0.36) KMT2ARAB9ASMN1; SMN2

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 6 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-A2 Acyl derivatives of hydroxy pyrimidines PFIZER INC. (US) 1989-06-07 — — EP 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
EP-0319170-A2 Acyl derivatives of hydroxy pyrimidines PFIZER INC. (US) 1989-06-07 — — EP disclosed
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