SCHEMBL9528466

SCHEMBL9528466

CCCCCC(=O)Oc1c(C)nc(NC(CCCCC)c2ccccc2)nc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ ASAH1 Q13510 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ ACER2 Q5QJU3 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EPHX2 P34913 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
SCHEMBL9529876 0.94 EPHX2 (0.38) TACR3KDM4EMEN1RECQLKMT2A
SCHEMBL9527527 0.94 EPHX2 (0.38) TACR3KDM4EMEN1RECQLKMT2A
SCHEMBL9528223 0.92 TACR3 (0.41) TACR3CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9528534 0.89 TACR3 (0.42) TACR3CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9528353 0.87 TACR3 (0.41) TACR3MEN1KMT2ASMN1; SMN2
SCHEMBL9527611 0.87 TACR3 (0.41) TACR3KMT2AASAH1ALDH1A1SMN1; SMN2
SCHEMBL9527595 0.86 NCEH1 (0.42) TACR3
SCHEMBL9527591 0.86 FAAH (0.42) TACR3
SCHEMBL9528680 0.84 TACR3 (0.41) TACR3KDM4EMEN1RECQLKMT2A
SCHEMBL9527790 0.83 TACR3 (0.41) TACR3KMT2AALDH1A1CYP1A2CYP2C9

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 7 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
WO-1989005295-A1 ACYL DERIVATIVES OF HYDROXYPYRIMIDINES PFIZER INC. (US) 1989-06-15 — — WO 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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