SCHEMBL7966117

SCHEMBL7966117

C=C/C=C(\C=C(\C)N)c1ccc(NC(=O)Nc2cccc(C(C)(C)C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.48
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ MAPT P10636 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ STAT1 P42224 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CNR1 P21554 2/20 0.42
▸ BRAF P15056 2/20 0.42
▸ KDR P35968 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ TNNI3K Q59H18 1/20 0.42
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL7975298 0.90 MAPT (0.55) MAPTRAB9ASMN1; SMN2HTTLMNA
SCHEMBL7969314 0.88 KMT2A (0.56) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL7957018 0.87 CSF1R (0.52) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL7968563 0.86 RAB9A (0.55) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL7955626 0.84 MEN1 (0.55) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL7969958 0.84 MEN1 (0.48) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL7968196 0.83 MAPT (0.51) RAF1MAPTRAB9ASMN1; SMN2HTT
SCHEMBL7967465 0.83 MAPT (0.56) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7969315 0.82 CA2 (0.54) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL7973003 0.82 MEN1 (0.48) MAPTRAB9ANPC1SMN1; SMN2LMNA

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-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 — — WO disclosed
Send feedback