SCHEMBL20535822

SCHEMBL20535822

N#CCN1C(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.60
▸ CTDSP1 Q9GZU7 1/20 0.60
▸ MAPT P10636 1/20 0.53
▸ KCNK3 O14649 2/20 0.53
▸ RAF1 P04049 2/20 0.53
▸ BRAF P15056 2/20 0.53
▸ PTGS1 P23219 2/20 0.52
▸ P2RX1 P51575 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK14 Q16539 2/20 0.52
▸ RAB9A P51151 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KCNK9 Q9NPC2 1/20 0.50
▸ TYMS P04818 1/20 0.48

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
SCHEMBL20534979 0.84 ALDH1A1 (0.61) POLBMAPTRAB9AMEN1HTT
SCHEMBL20535063 0.84 ALDH1A1 (0.53) POLBMAPTPTGS1LMNARAB9A
SCHEMBL20535049 0.80 MEN1 (0.58) POLBMAPTLMNARAB9AMEN1
SCHEMBL20535270 0.80 ALDH1A1 (0.48) POLBMAPK14RAB9AMEN1KMT2A
SCHEMBL20535272 0.78 TP53 (0.49) POLBMAPTLMNARAB9AMEN1
SCHEMBL20535966 0.78 MAPT (0.55) POLBMAPTLMNARAB9AMEN1
SCHEMBL20535061 0.77 ALDH1A1 (0.46) POLBMAPTLMNARAB9AMEN1
SCHEMBL20534830 0.76 MEN1 (0.49) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL20534827 0.76 RAB9A (0.69) MAPTLMNARAB9AMEN1HTT
SCHEMBL6840871 0.75 KCNK3 (0.59) POLBCTDSP1MAPTKCNK3PTGS1

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-2018189679-A1 ISOINDOLINE DERIVATIVES FOR USE AS AMPK ACTIVATORS UNIVERSITA' DI PISA (IT) 2018-10-18 — — WO claimed
Send feedback