SCHEMBL21393151

SCHEMBL21393151

C=CC(=O)NC1(C(N)=O)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 3/20 0.32
FGFR4 P22455 1/20 0.32
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL10595642 0.82 ALDH1A1 (0.36) TSHRALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL10593961 0.82 ALDH1A1 (0.36) TSHRALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL8762317 0.80 ALDH1A1 (0.36) TSHRALDH1A1MAPK1TDP1
SCHEMBL9641206 0.76 TSHR (0.35) TSHRALDH1A1FGFR4MAPK1TDP1
SCHEMBL1957150 0.75 KDM4E (0.36) TSHRP2RX7KDM4EKMT2AALDH1A1
SCHEMBL7751502 0.75 TSHR (0.38) TSHRALDH1A1MAPK1TDP1
SCHEMBL32690599 0.74 KDM4E (0.39) TSHRP2RX7KDM4EKMT2AALDH1A1
SCHEMBL3887596 0.74 TSHR (0.37) TSHRALDH1A1MAPK1TDP1
SCHEMBL13448704 0.74 ALDH1A1 (0.40) P2RX7KDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL3592430 0.73 TACR2 (0.31) TACR2TACR1

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
US-20190293641-A1 ASSAY IMPERIAL COLLEGE INNOVATIONS, LTD. (GB) 2019-09-26 US disclosed