SCHEMBL20620174

SCHEMBL20620174

CCOC(=O)c1cc2c([nH]1)-c1ccc(F)cc1N(C(=O)c1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
STING1 Q86WV6 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.38
AR P10275 1/20 0.38
ELANE P08246 1/20 0.38
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL20619519 0.88 NR1H4 (0.39) NPSR1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL20622251 0.82 L3MBTL1 (0.45) L3MBTL1KMT2AMEN1SMN1; SMN2KCNJ1
SCHEMBL20620103 0.76 AVPR2 (0.43) L3MBTL1SMN1; SMN2STING1NPSR1ALDH1A1
SCHEMBL20622199 0.74 HSD11B1 (0.41) L3MBTL1STING1NPSR1ALDH1A1LMNA
SCHEMBL20622238 0.73 NOTUM (0.41) L3MBTL1STING1NPSR1ALDH1A1LMNA
SCHEMBL20620169 0.72 HSD11B1 (0.40) L3MBTL1STING1NPSR1ALDH1A1LMNA
SCHEMBL20599103 0.71 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1SMN1; SMN2KCNJ1
SCHEMBL17678613 0.71 HPGD (0.54) L3MBTL1KMT2AMEN1SMN1; SMN2KCNJ1
SCHEMBL20619531 0.70 ALDH1A1 (0.48) L3MBTL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL19454363 0.69 ALDH1A1 (0.42) L3MBTL1KMT2AMEN1SMN1; SMN2KCNJ1

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-2019006295-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-01-03 WO disclosed