SCHEMBL1722195

SCHEMBL1722195

O=C(NCc1cccs1)Oc1cccnc1CCCCc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ GAA P10253 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RECQL P46063 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ USP2 O75604 1/20 0.39

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
SCHEMBL1722354 0.92 LMNA (0.47) POLBGAAHPGDMAPTNPSR1
SCHEMBL1722762 0.85 ALDH1A1 (0.46) POLBGAAHPGDRECQLTP53
SCHEMBL1721164 0.84 NPC1 (0.49) POLBGAAMAPTNPSR1KDM4E
SCHEMBL2751246 0.84 KDM4E (0.56) POLBHPGDTP53MAPTNPSR1
SCHEMBL1721322 0.82 GAA (0.43) POLBGAAHPGDRECQLMAPT
SCHEMBL1721892 0.80 GAA (0.44) POLBGAAHPGDTP53MAPT
SCHEMBL1721871 0.77 ALDH1A1 (0.43) POLBGAARECQLMAPTNPSR1
SCHEMBL1721150 0.77 ALDH1A1 (0.47) POLBGAAHPGDTP53MAPT
SCHEMBL1721307 0.76 ALDH1A1 (0.42) POLBGAAHPGDTP53MAPT
SCHEMBL2750373 0.74 KDM4E (0.63) POLBGAAHPGDMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406226-B1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-09-16 — — EP claimed
EP-2406226-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 — — EP claimed
WO-2010102809-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 — — WO claimed
EP-2406226-B1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-09-16 — — EP disclosed
EP-2406226-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 — — EP disclosed
WO-2010102809-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 — — WO disclosed
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