SCHEMBL18071041

SCHEMBL18071041

O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1NC1COC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.59
▸ EGLN1 Q9GZT9 1/20 0.51
▸ PTGS1 P23219 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TRPV1 Q8NER1 10/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 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
SCHEMBL18048934 0.89 KDR (0.57) KDREGLN1PTGS1SMN1; SMN2TRPV1
SCHEMBL18049039 0.87 KDR (0.59) KDREGLN1PTGS1SMN1; SMN2TRPV1
SCHEMBL18049841 0.86 KDR (0.58) KDREGLN1PTGS1SMN1; SMN2TRPV1
SCHEMBL18070891 0.85 KDR (0.57) KDREGLN1PTGS1SMN1; SMN2TRPV1
SCHEMBL18048967 0.84 KDR (0.64) KDREGLN1PTGS1SMN1; SMN2TRPV1
SCHEMBL18048926 0.82 KDR (0.62) KDREGLN1PTGS1SMN1; SMN2TRPV1
SCHEMBL18070875 0.81 KDR (0.57) KDREGLN1PTGS1SMN1; SMN2TRPV1
SCHEMBL18070871 0.81 KDR (0.57) KDREGLN1PTGS1SMN1; SMN2TRPV1
SCHEMBL18070967 0.79 KDR (0.60) KDREGLN1MEN1ALDH1A1MAPT
SCHEMBL18071003 0.78 KDR (0.66) KDREGLN1PTGS1SMN1; SMN2TRPV1

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
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
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