SCHEMBL22368762

SCHEMBL22368762

C#Cc1cccc2c1CCCC(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
BRD4 O60885 2/20 0.46
CREBBP Q92793 2/20 0.46
NPC1 O15118 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CRBN Q96SW2 1/20 0.38
KIF11 P52732 2/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL6971113 0.81 BRD4 (0.49) BRD4CREBBPKDM4ELMNACHRM2
SCHEMBL2408663 0.78 MAPT (0.53) MAPTBRD4CREBBPNPC1MAPK13
SCHEMBL8523665 0.76 MAPT (0.55) MAPTBRD4CREBBPNPC1MAPK13
SCHEMBL427457 0.75 MAPT (0.53) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL6407953 0.75 MAPT (0.53) MAPTBRD4CREBBPNPC1MAPK13
SCHEMBL97660 0.75 NPC1 (0.47) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL22368946 0.72 CREBBP (0.57) MAPTBRD4CREBBPNPC1MAPK13
SCHEMBL11739357 0.71 CYP2A6 (0.44) MAPTBRD4KDM4EHTR1AMAPK1
SCHEMBL885653 0.71 MAPT (0.49) MAPTBRD4CREBBPNPC1MAPK13
SCHEMBL3052448 0.71 MAPT (0.53) MAPTBRD4CREBBPNPC1MAPK13

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