SCHEMBL19554247

SCHEMBL19554247

COC(=O)c1cc(Cl)ccc1NC(=O)c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.57
ABCG2 Q9UNQ0 3/20 0.52
ABCB1 P08183 1/20 0.52
TMPRSS4 Q9NRS4 1/20 0.52
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDR P35968 2/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL19554163 0.87 SERPINE1 (0.60) SERPINE1ABCG2TMPRSS4KDRMAPT
SCHEMBL23258455 0.87 ABCG2 (0.62) ABCG2ABCB1ALDH1A1KDM4EHSD17B10
SCHEMBL419421 0.87 SERPINE1 (0.78) SERPINE1TMPRSS4MAPTAKR1C4AKR1C3
SCHEMBL6708107 0.80 F10 (0.56) SERPINE1HPGDHSD17B10KDRNPC1
SCHEMBL417156 0.79 SERPINE1 (0.61) SERPINE1ABCG2ABCB1NPC1RAB9A
SCHEMBL419380 0.78 CYSLTR1 (0.57) SERPINE1
SCHEMBL4204619 0.77 CNR2 (0.66) SERPINE1ABCB1TMPRSS4NPC1CYP3A4
SCHEMBL31306457 0.77 GAA (0.53) SERPINE1TMPRSS4ALDH1A1KDM4EKDR
SCHEMBL21446739 0.76 NPC1 (0.60) ABCG2ABCB1ALDH1A1HPGDKDM4E
SCHEMBL418778 0.76 CYSLTR1 (0.68) ALDH1A1KDM4EHSD17B10NPC1TSHR

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
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed