SCHEMBL15524941

SCHEMBL15524941

Cc1cccc(-c2[nH]cc3c2CCCC3=O)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.67
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43
CREBBP Q92793 1/20 0.42
FYN P06241 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PGR P06401 1/20 0.38
ELANE P08246 2/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL7680896 0.82 BRD4 (0.65) BRD4PARP10PARP11KDM4EALDH1A1
SCHEMBL16148971 0.81 PARP10 (0.59) BRD4PARP10PARP11FYNCLK4
SCHEMBL4424565 0.71 PARP10 (0.61) PARP10PARP11FYNCLK4DYRK1B
SCHEMBL16547978 0.70 BRD4 (0.50) BRD4KDM4E
SCHEMBL5035590 0.69 GRM5 (0.51) PARP10PARP11KDM4EALDH1A1HPGD
SCHEMBL16193421 0.68 PGR (0.44) PARP10PARP11FYNCLK4DYRK1B
SCHEMBL16664022 0.68 CDC7 (0.39) PARP10PARP11FYNCLK4DYRK1B
SCHEMBL16547974 0.67 BRD4 (0.47) BRD4KDM4E
SCHEMBL8178876 0.65 CHRNB4 (0.42) PARP10PARP11FYNCLK4DYRK1B
SCHEMBL1151194 0.65 PARP1 (0.55) BRD4PARP10PARP11KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2850071-A1 ISOINDOLONE DERIVATIVES AbbVie Inc. (US) 2015-03-25 EP claimed
EP-2838881-A1 ISOINDOLONE DERIVATIVES AbbVie Inc. (US) 2015-02-25 EP claimed
WO-2013155695-A1 ISOINDOLONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-10-24 WO claimed
WO-2013158952-A1 ISOINDOLONE DERIVATIVES ABBVIE INC. (US) 2013-10-24 WO claimed
EP-2850071-A1 ISOINDOLONE DERIVATIVES AbbVie Inc. (US) 2015-03-25 EP disclosed
EP-2838881-A1 ISOINDOLONE DERIVATIVES AbbVie Inc. (US) 2015-02-25 EP disclosed
WO-2013155695-A1 ISOINDOLONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-10-24 WO disclosed
WO-2013158952-A1 ISOINDOLONE DERIVATIVES ABBVIE INC. (US) 2013-10-24 WO disclosed