SCHEMBL9530133

SCHEMBL9530133

CCCCC(Nc1nc(C)c(O)c(C)n1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 1/20 0.43
▸ TACR3 P29371 5/20 0.42
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ TLR8 Q9NR97 2/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ GPR88 Q9GZN0 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RPS6KB1 P23443 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
SCHEMBL9529634 0.96 TACR3 (0.42) CACNA2D1TACR3POLBALDH1A1KDM4E
Phosphoric Acid SCHEMBL9531932 0.90 TACR3 (0.43) CACNA2D1TACR3POLBP2RX3SMN1; SMN2
SCHEMBL10369837 0.86 GCGR (0.39) CACNA2D1TACR3POLB
SCHEMBL10367948 0.83 CACNA2D1 (0.41) CACNA2D1TACR3POLBALDH1A1KDM4E
Phosphoric Acid SCHEMBL10367954 0.80 TACR3 (0.41) CACNA2D1TACR3POLBALDH1A1TLR7
SCHEMBL10368160 0.80 CACNA2D1 (0.41) CACNA2D1TACR3POLBALDH1A1MAPT
SCHEMBL9529639 0.80 ALDH1A1 (0.39) TACR3POLBALDH1A1KDM4EMAPT
SCHEMBL9530046 0.79 TACR3 (0.41) CACNA2D1TACR3POLBALDH1A1MAPT
SCHEMBL10367529 0.79 TACR3 (0.39) CACNA2D1TACR3POLBALDH1A1MAPT
SCHEMBL9527790 0.79 TACR3 (0.41) CACNA2D1TACR3POLBALDH1A1GPR88

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 4 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 disclosed
EP-0210044-B1 HYDROXY AND ALKOXY PYRIMIDINES PFIZER INC. (US) 1990-08-29 — — 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
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