SCHEMBL9528699

SCHEMBL9528699

CCCCC(CNc1nc(C)c(OC(=O)c2ccccc2C)c(C)n1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ ADRB2 P07550 2/20 0.34
▸ ADRB1 P08588 2/20 0.34
▸ ADRB3 P13945 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TBXAS1 P24557 2/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL9527618 0.90 PKM (0.38) RAB9ANPSR1ALDH1A1POLBTSHR
SCHEMBL9528551 0.86 POLB (0.38) RAB9ANPSR1ALDH1A1POLBKDM4E
SCHEMBL9528238 0.85 POLB (0.37) RAB9ANPSR1ALDH1A1POLBKDM4E
SCHEMBL9528360 0.85 RAB9A (0.36) RAB9ANPSR1ALDH1A1POLBTSHR
SCHEMBL9527604 0.84 FAAH (0.36) MAPTRAB9AALDH1A1POLBKDM4E
SCHEMBL9528478 0.84 ASAH1 (0.39) RAB9AALDH1A1POLBKDM4EKMT2A
SCHEMBL9528908 0.84 NCEH1 (0.41) ALDH1A1POLBKMT2A
SCHEMBL9527843 0.83 TSHR (0.41) HTTRAB9ANPSR1ALDH1A1CYP3A4
SCHEMBL9527810 0.83 PKM (0.39) MAPTRAB9ANPSR1ALDH1A1POLB
SCHEMBL9528680 0.82 TACR3 (0.41) HTTMAPTRAB9ANPSR1ALDH1A1

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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