SCHEMBL19980155

SCHEMBL19980155

CNc1ccc(Br)cc1CCC(N)C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RAB9A P51151 1/20 0.32
MCL1 Q07820 1/20 0.32
GAA P10253 2/20 0.30
RECQL P46063 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL19980141 1.00 STAT3 (0.32) STAT3KDM4EMEN1ALDH1A1POLB
SCHEMBL22048699 0.83 KDM4E (0.41) STAT3KDM4EMEN1ALDH1A1POLB
SCHEMBL20344614 0.83 STAT3 (0.31) STAT3KDM4EMEN1ALDH1A1POLB
SCHEMBL20344524 0.80 KIF11 (0.40) MEN1ALDH1A1MAPTKMT2ALMNA
SCHEMBL19980121 0.79 SLC6A2 (0.40) KDM4EALDH1A1POLBMAPTNPSR1
SCHEMBL19980350 0.79 SLC6A2 (0.40) KDM4EALDH1A1POLBMAPTNPSR1
SCHEMBL20344472 0.75 STAT3 (0.33) STAT3KDM4EMEN1ALDH1A1POLB
SCHEMBL19980301 0.74 CCR5 (0.33) POLB
SCHEMBL25899811 0.73 STAT3 (0.35) STAT3KDM4EMEN1ALDH1A1POLB
SCHEMBL20615440 0.73 CHRNB2 (0.41) MEN1POLBKMT2ALMNASMN1; SMN2

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-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed