SCHEMBL21471733

SCHEMBL21471733

O=C(c1cc(C(F)(F)F)n[nH]1)c1cc2c(s1)-c1ccc(F)cc1NCC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PIK3CA P42336 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL21471676 0.79 CHRM2 (0.32) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL21471796 0.77 MAPK14 (0.47) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL21471679 0.76 AVPR2 (0.35) ALDH1A1GAALMNA
SCHEMBL20619706 0.74 KDM4E (0.56) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL21472043 0.74 STING1 (0.36) ALDH1A1L3MBTL1LMNAHPGD
SCHEMBL20599149 0.74 KDM4E (0.57) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL21471732 0.73 DGAT1 (0.33) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL21471603 0.72 NOTUM (0.38) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL21471602 0.72 GABRP (0.36) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL21471711 0.70 DHODH (0.34) NOTUMKDM4EALDH1A1GAAL3MBTL1

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-2019199908-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-10-17 WO disclosed