SCHEMBL9527715

SCHEMBL9527715

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ PRSS1 P07477 1/20 0.34
▸ CTSG P08311 1/20 0.34
▸ CTRB1 P17538 1/20 0.34
▸ CMA1 P23946 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ BCDIN3D Q7Z5W3 1/20 0.32
▸ GRIA4 P48058 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PRKCA P17252 1/20 0.32

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
SCHEMBL9527810 0.87 PKM (0.39) MAPTRAB9ANPSR1ALDH1A1LMNA
SCHEMBL9529753 0.85 CHRNB2 (0.39) RAB9AALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL9530047 0.82 MAPT (0.34) MAPTRAB9ANPSR1ALDH1A1L3MBTL1
SCHEMBL9528551 0.81 POLB (0.38) RAB9ANPSR1ALDH1A1LMNAKLK7
SCHEMBL10367949 0.81 METAP1 (0.35) MAPTBCDIN3DALDH1A1LMNAL3MBTL1
SCHEMBL9528238 0.80 POLB (0.37) PRSS1CTSGCTRB1CMA1RAB9A
SCHEMBL9527618 0.80 PKM (0.38) PRSS1CTSGCTRB1CMA1RAB9A
Phosphoric Acid SCHEMBL10367955 0.80 GAA (0.36) MAPTRAB9ANPSR1LMNAMEN1
SCHEMBL9528360 0.80 RAB9A (0.36) RAB9ANPSR1ALDH1A1LMNAMEN1
SCHEMBL9527699 0.79 TACR3 (0.40) PRSS1CTSGCTRB1CMA1CYP3A4

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 2 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-B1 ACYL DERIVATIVES OF HYDROXY PYRIMIDINES PFIZER INC. (US) 1993-03-17 — — EP disclosed
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