SCHEMBL22368917

SCHEMBL22368917

O=C1CCOc2c(/C=C/c3ccccc3)cccc2N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 11/20 0.62
BRD4 O60885 9/20 0.62
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 2/20 0.39
GRM5 P41594 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
LMNA P02545 1/20 0.38
MAOB P27338 1/20 0.37
PRKDC P78527 1/20 0.36

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
SCHEMBL17680682 0.85 BRD4 (0.67) CREBBPBRD4MAPTRAB9ALMNA
SCHEMBL17680709 0.76 CREBBP (1.00) CREBBPBRD4
SCHEMBL22368597 0.76 CREBBP (0.61) CREBBPBRD4NPC1MAPTMEN1
SCHEMBL4484367 0.73 NPC1 (0.41) CREBBPBRD4NPC1MAPTMEN1
SCHEMBL15964658 0.73 CREBBP (0.55) CREBBPBRD4NPC1MAPTRAB9A
SCHEMBL22368721 0.71 CREBBP (0.69) CREBBPBRD4NPC1MAPTRAB9A
(Z)-1,2-Diphenylethene SCHEMBL10997053 0.71 CRBN (0.50) CREBBPBRD4NPC1MAPTMEN1
(Z)-1,2-Diphenylethene SCHEMBL10997055 0.71 CRBN (0.50) CREBBPBRD4NPC1MAPTMEN1
SCHEMBL27060152 0.71 BRD4 (0.39) CREBBPBRD4NPC1MAPTMEN1
SCHEMBL22368946 0.70 CREBBP (0.57) CREBBPBRD4NPC1MAPTMAPK13

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-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed