SCHEMBL20633289

SCHEMBL20633289

C=N/C=C(\CC)c1cccc(NC(=S)N2CCCN(C)c3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.39
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ FYN P06241 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ BRAF P15056 4/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 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
SCHEMBL20632372 0.87 LMNA (0.38) LMNAMEN1KMT2AL3MBTL1FYN
SCHEMBL20632116 0.79 RHOA (0.43) LMNAMEN1KMT2AL3MBTL1FYN
SCHEMBL20632070 0.78 BRAF (0.34) LMNAFYNPOLBBRAFSMN1; SMN2
SCHEMBL20632330 0.77 TLR8 (0.36) LMNAFYNPOLBBRAFHTT
SCHEMBL20633441 0.76 FYN (0.39) LMNAMEN1KMT2AFYNBRAF
SCHEMBL20633264 0.76 NPC1 (0.31) BRAFNPC1RAB9ARAF1
SCHEMBL20632046 0.75 CYP1A2 (0.43) LMNAMEN1KMT2AL3MBTL1FYN
SCHEMBL20633162 0.75 AURKA (0.38) LMNAMEN1KMT2AFYNPOLB
SCHEMBL20633005 0.75 LMNA (0.38) LMNAMEN1KMT2AL3MBTL1FYN
SCHEMBL19669976 0.74 HTR2A (0.52) LMNAMEN1KMT2AL3MBTL1FYN

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-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
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