SCHEMBL28292980

SCHEMBL28292980

CCCC1C(c2ccccc2)NCCN1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
RIPK1 Q13546 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTNR1B P49286 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
SLC18A3 Q16572 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.32
P2RX7 Q99572 1/20 0.32
PTGS2 P35354 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL5585868 0.73 POLB (0.41) MEN1KMT2AHTTTSHRPOLB
SCHEMBL2911565 0.68 SLC18A3 (0.39) MEN1KMT2AHTTTSHRPOLB
SCHEMBL16970805 0.68 RIPK1 (0.41) MEN1KMT2AHTTTSHRPOLB
SCHEMBL2908423 0.68 KMT2A (0.40) MEN1KMT2AHTTTSHRPOLB
SCHEMBL6248838 0.68 DRD2 (0.44) POLBRIPK1SMN1; SMN2HRH3SLC18A3
SCHEMBL1379285 0.67 KMT2A (0.42) KMT2APOLBMTNR1BTDP1ALDH1A1
SCHEMBL27743375 0.66 POLB (0.40) TSHRPOLBRIPK1HRH3ALDH1A1
SCHEMBL2844979 0.66 GBA1 (0.38) MEN1KMT2APOLBRIPK1LMNA
SCHEMBL31357052 0.66 HCRTR2 (0.42) LMNA
SCHEMBL2913724 0.65 POLB (0.42) MEN1KMT2AHTTTSHRPOLB

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
CN-109641886-A bicyclic BET bromodomain inhibitors and uses thereof 康威基内有限公司 2019-04-16 CN disclosed