SCHEMBL2861622

SCHEMBL2861622

O=C(NCc1cccnc1)Oc1cnn(Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.60
NAMPT P43490 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 2/20 0.47
USP2 O75604 1/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 1/20 0.46

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
SCHEMBL2860106 0.91 KLKB1 (0.52) EPHX1L3MBTL1SMN1; SMN2
SCHEMBL2852927 0.85 KLKB1 (0.50) L3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL2848515 0.84 LMNA (0.50) LMNAHPGDSMN1; SMN2FAAH
SCHEMBL3430736 0.83 EPHX1 (0.79) EPHX1NAMPTCYP1A2CYP3A4CYP2C9
SCHEMBL29881595 0.83 EPHX1 (0.79) EPHX1NAMPTCYP1A2CYP3A4CYP2C9
SCHEMBL2853080 0.82 LMNA (0.50) L3MBTL1LMNAHPGDSMN1; SMN2
SCHEMBL2852519 0.81 TAAR1 (0.59) L3MBTL1SMN1; SMN2
SCHEMBL2859721 0.81 KLKB1 (0.49) L3MBTL1HTTLMNAHPGDSMN1; SMN2
SCHEMBL2860989 0.78 ALDH1A1 (0.68) HTTHPGDSMN1; SMN2FAAH
SCHEMBL27687099 0.78 EPHX1 (0.70) EPHX1NAMPTCYP1A2CYP3A4CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed