SCHEMBL20924285

SCHEMBL20924285

C=C/C=C\C(=C/C)Nc1ccc(C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KCNQ3 O43525 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ SORT1 Q99523 1/20 0.36
▸ NAMPT P43490 3/20 0.34
▸ PIK3CA P42336 3/20 0.33
▸ MTOR P42345 3/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR2C P28335 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ DDX3X O00571 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CTDSP1 Q9GZU7 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
SCHEMBL19057796 0.74 TGM2 (0.44) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL23315095 0.72 TGM2 (0.31) —
SCHEMBL21594549 0.72 MAPT (0.46) ALDH1A1GAARAB9ASMN1; SMN2POLB
SCHEMBL25489239 0.71 KDM4E (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL21392142 0.70 NPSR1 (0.47) NPSR1KCNQ3KCNQ2SORT1PIK3CA
SCHEMBL20143351 0.68 NPC1 (0.46) NPSR1NPC1ALDH1A1GAARAB9A
SCHEMBL2242286 0.68 NPSR1 (0.57) NPSR1KCNQ3KCNQ2SORT1NAMPT
SCHEMBL30919458 0.68 NPSR1 (0.57) NPSR1KCNQ3KCNQ2SORT1NAMPT
SCHEMBL23999852 0.67 HDAC1 (0.46) KCNQ3KCNQ2NPC1ALDH1A1RAB9A
SCHEMBL13742463 0.67 — —

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-2970260-B1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN LLC (US) 2019-04-24 — — EP disclosed
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