SCHEMBL9528478

SCHEMBL9528478

CCCCCC(=O)Oc1c(C)nc(NCC(CCCC)c2ccccc2)nc1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ACER2 Q5QJU3 1/20 0.36
▸ CERT1 Q9Y5P4 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYSLTR2 Q9NS75 1/20 0.35
▸ CYSLTR1 Q9Y271 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 1/20 0.35

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
SCHEMBL9529882 0.94 METAP1 (0.40) AKR1C3AKR1C2CYSLTR2CYSLTR1PPARG
SCHEMBL9527532 0.93 METAP1 (0.41) KDM4EMEN1RECQLKMT2AAKR1C3
SCHEMBL9528238 0.92 POLB (0.37) ASAH1KDM4EMEN1RECQLKMT2A
SCHEMBL9528551 0.88 POLB (0.38) ASAH1KDM4EALDH1A1POLBNPC1
SCHEMBL9527618 0.87 PKM (0.38) KDM4EKMT2AALDH1A1POLBNPC1
SCHEMBL9528360 0.86 RAB9A (0.36) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL9528908 0.85 NCEH1 (0.41) KMT2AALDH1A1POLB
SCHEMBL9527604 0.85 FAAH (0.36) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL9528699 0.84 HTT (0.39) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL9530343 0.83 POLB (0.36) POLBNPC1RAB9ASMN1; SMN2LMNA

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
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
WO-1989005295-A1 ACYL DERIVATIVES OF HYDROXYPYRIMIDINES PFIZER INC. (US) 1989-06-15 — — WO disclosed
EP-0319170-A2 Acyl derivatives of hydroxy pyrimidines PFIZER INC. (US) 1989-06-07 — — EP disclosed
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