SCHEMBL8570658

SCHEMBL8570658

CCCCOC(=O)c1c[nH]c2cc(-c3ccc(F)cc3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GSK3B P49841 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NR4A2 P43354 3/20 0.42
HAT1 O14929 1/20 0.41
EP300 Q09472 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL31147988 0.81 NR4A2 (0.63) NR4A2HAT1EP300
SCHEMBL27839464 0.78 NR4A2 (0.46) NR4A2HAT1EP300
SCHEMBL27967224 0.78 NR4A2 (0.57) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL29800593 0.77 NR4A2 (0.54) TSHRALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL22864631 0.77 NR4A2 (0.54) TSHRALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL27961666 0.77 TSHR (0.66) TSHRALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL7846022 0.77 KDM4E (0.55) ALDH1A1KDM4EMEN1KMT2AHAT1
SCHEMBL18975022 0.75 TSHR (0.47) TSHRALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL7494290 0.75 MAPT (0.57) LMNAMEN1KMT2AHAT1EP300
SCHEMBL6325476 0.74 NR4A2 (0.47) GSK3BNR4A2HAT1EP300

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-0821685-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1998-02-04 EP disclosed