SCHEMBL21471675

SCHEMBL21471675

C=CCN1CCc2cc(C(=O)NC)sc2-c2ccc(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 7/20 0.47
GAA P10253 5/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NOTUM Q6P988 4/20 0.34
AR P10275 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL20599068 0.88 NOTUM (0.46) ALDH1A1KDM4EGAAL3MBTL1CHRM2
SCHEMBL21471714 0.88 CHRM2 (0.38) ALDH1A1KDM4EGAAL3MBTL1CHRM2
SCHEMBL20622402 0.88 HPGD (0.42) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL20619490 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL21471614 0.85 KDM4E (0.36) ALDH1A1KDM4EGAAL3MBTL1CHRM2
SCHEMBL21471683 0.84 CHRM2 (0.36) ALDH1A1KDM4EGAAL3MBTL1CHRM2
SCHEMBL21471717 0.83 MAPK14 (0.41) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL21474620 0.83 MAPK14 (0.41) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL21457978 0.83 PIK3CA (0.38) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL21471792 0.82 CHRM2 (0.36) CHRM2CHRM3HRH3

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