SCHEMBL19980152

SCHEMBL19980152

CNc1ccccc1CCCC=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
AR P10275 1/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
SLC16A3 O15427 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 1/20 0.33
EGFR P00533 1/20 0.33
PABPC1 P11940 1/20 0.33

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
SCHEMBL2614335 0.89 AR (0.40) TMEM97SIGMAR1ARATP4AATP4B
SCHEMBL22535153 0.82 L3MBTL1 (0.43) TMEM97SIGMAR1ARATP4AATP4B
SCHEMBL14370142 0.79 TMEM97 (0.38) TMEM97SIGMAR1ARATP4AATP4B
SCHEMBL5599488 0.77 TSHR (0.41) ALDH1A1
SCHEMBL4093561 0.77 CYP3A4 (0.45) ARL3MBTL1KDM4EPOLBMAPT
SCHEMBL3635884 0.77 ATP4A (0.44) TMEM97SIGMAR1ARATP4AATP4B
SCHEMBL20344472 0.77 STAT3 (0.33) L3MBTL1KDM4EPOLBMAPTALDH1A1
SCHEMBL23766361 0.76 ALDH1A1 (0.42) ARSLC16A3TDP1USP2ALDH1A1
SCHEMBL17750799 0.76 KDM4E (0.38) TMEM97SIGMAR1ARATP4AATP4B
SCHEMBL2181212 0.76 TAAR1 (0.50) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed
EP-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed