SCHEMBL19987074

SCHEMBL19987074

O=C1c2ccccc2C(O)N1C1CCC(S(=O)(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 9/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36

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
SCHEMBL19539757 0.88 TSHR (0.52) TSHRL3MBTL1ALDH1A1RAB9AMEN1
SCHEMBL23336386 0.84 TSHR (0.49) TSHRL3MBTL1ALDH1A1RAB9AMEN1
SCHEMBL10554268 0.81 TSHR (0.56) TSHRL3MBTL1ALDH1A1RAB9AMEN1
SCHEMBL18909735 0.80 L3MBTL1 (0.46) TSHRL3MBTL1ALDH1A1RAB9AMEN1
SCHEMBL19987073 0.78 RAB9A (0.46) TSHRL3MBTL1ALDH1A1RAB9AMEN1
SCHEMBL14639191 0.76 L3MBTL1 (0.50) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL19662739 0.76 RAB9A (0.45) TSHRL3MBTL1ALDH1A1RAB9AMEN1
SCHEMBL20798796 0.75 MEN1 (0.43) TSHRL3MBTL1ALDH1A1RAB9AMEN1
SCHEMBL21163305 0.73 TSHR (0.42) TSHRL3MBTL1ALDH1A1RAB9AMEN1
SCHEMBL25648819 0.73 TSHR (0.42) TSHRL3MBTL1ALDH1A1RAB9AMEN1

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-2734205-B1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2018-03-21 EP disclosed