SCHEMBL20614944

SCHEMBL20614944

COC(=O)c1cc2c(s1)-c1ncc(F)cc1N(C(=O)c1ccc(N)cc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 5/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP11B2 P19099 2/20 0.36
LMNA P02545 4/20 0.36
AVPR2 P30518 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AVPR1A P37288 1/20 0.36
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL20614943 0.91 CYP11B2 (0.39) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL20614703 0.84 CYP11B2 (0.39) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL20614949 0.83 KDM4E (0.43) ALDH1A1KDM4EL3MBTL1HPGDRAB9A
SCHEMBL20618170 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1HPGDMEN1
SCHEMBL20618257 0.78 KDM4E (0.40) ALDH1A1KDM4EL3MBTL1HPGDRAB9A
SCHEMBL20614758 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EL3MBTL1HPGDMEN1
SCHEMBL20614957 0.75 CYP11B2 (0.41) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL20619531 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1HPGDMEN1
SCHEMBL20598711 0.74 MAPT (0.44) KDM4EL3MBTL1RAB9AMAPTTP53
SCHEMBL20614721 0.73 LMNA (0.42) ALDH1A1HPGDKMT2ARAB9AMAPT

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-2019006291-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-01-03 WO disclosed