SCHEMBL20619652

SCHEMBL20619652

CCOC(=O)c1sc2c(c1CC)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
AR P10275 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
ELANE P08246 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.37
PRKCZ Q05513 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL20622432 0.90 L3MBTL1 (0.45) L3MBTL1KMT2AMEN1SMN1; SMN2KCNJ1
SCHEMBL17678613 0.81 HPGD (0.54) L3MBTL1KMT2AMEN1SMN1; SMN2KCNJ1
SCHEMBL20622315 0.80 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL20619540 0.78 L3MBTL1 (0.42) L3MBTL1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL20598756 0.78 L3MBTL1 (0.40) L3MBTL1KMT2AMEN1SMN1; SMN2KCNJ1
SCHEMBL20619512 0.77 RAB9A (0.41) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL20620133 0.77 RAB9A (0.41) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL20622536 0.76 L3MBTL1 (0.43) L3MBTL1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL19078673 0.74 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL20599103 0.74 L3MBTL1 (0.48) 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