SCHEMBL22258489

SCHEMBL22258489

C=C(Nc1c[nH]nc1C(=C)Nc1ccc(N2CCCC2)nc1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ MAPT P10636 6/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ DGAT2 Q96PD7 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 1/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ DGAT1 O75907 4/20 0.35
▸ UBE2T Q9NPD8 1/20 0.35
▸ USP30 Q70CQ3 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
SCHEMBL22258495 0.99 KCNQ3 (0.40) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
SCHEMBL22258825 0.89 CLK2 (0.40) MAPTSMN1; SMN2STAT3TRPV1KDM4E
SCHEMBL22258494 0.86 MAPT (0.41) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
SCHEMBL22258827 0.85 MAPT (0.40) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
SCHEMBL22235966 0.84 KCNQ3 (0.52) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
SCHEMBL22258273 0.83 KCNQ3 (0.51) KCNQ3KCNQ2MAPTSMN1; SMN2STAT3
SCHEMBL22258230 0.83 NPC1 (0.40) KCNQ3KCNQ2MAPTSMN1; SMN2TRPV1
SCHEMBL22258478 0.82 NPC1 (0.41) KCNQ3KCNQ2MAPTSMN1; SMN2TRPV1
SCHEMBL22258493 0.82 KCNQ3 (0.44) KCNQ3KCNQ2TRPV1KDM4EPKM
SCHEMBL22258452 0.79 CLK2 (0.43) TRPV1

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
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 — — WO disclosed
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