SCHEMBL21471796

SCHEMBL21471796

O=C(c1ccccc1)c1cc2c(s1)-c1ccc(F)cc1NCC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
NOTUM Q6P988 11/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
PIK3CA P42336 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL20619706 0.81 KDM4E (0.56) NOTUMKDM4EALDH1A1HPGDLMNA
SCHEMBL21471602 0.80 GABRP (0.36) MAPK14NOTUMKDM4EALDH1A1HPGD
SCHEMBL21471711 0.79 DHODH (0.34) MAPK14NOTUMKDM4EALDH1A1HPGD
SCHEMBL21471603 0.78 NOTUM (0.38) NOTUMKDM4EALDH1A1HPGDLMNA
SCHEMBL20599149 0.78 KDM4E (0.57) MAPK14NOTUMKDM4EALDH1A1HPGD
SCHEMBL21471733 0.77 NOTUM (0.33) NOTUMKDM4EALDH1A1HPGDLMNA
SCHEMBL21471613 0.77 NOTUM (0.32) MAPK14NOTUMKDM4EALDH1A1HPGD
SCHEMBL11910393 0.75 NOTUM (0.65) NOTUMKDM4EALDH1A1HPGDLMNA
SCHEMBL21471717 0.73 MAPK14 (0.41) MAPK14NOTUMKDM4EALDH1A1HPGD
SCHEMBL24384846 0.72 NOTUM (0.49) NOTUMKDM4EALDH1A1HPGDLMNA

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