SCHEMBL7006504

SCHEMBL7006504

CCOC(=O)c1cc2c(OCc3ccc(C(F)(F)F)cc3)cccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.56
MMP12 P39900 3/20 0.49
MMP1 P03956 2/20 0.49
MAOB P27338 2/20 0.46
ALOX5 P09917 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL700753 0.87 SRD5A2 (0.73) SRD5A2ALOX5MRGPRX4KDM4EALDH1A1
SCHEMBL7005455 0.86 SRD5A2 (0.59) SRD5A2MMP12MMP1ALOX5KDM4E
SCHEMBL7004252 0.85 SRD5A2 (0.58) SRD5A2MMP12MMP1MAOBKDM4E
SCHEMBL914178 0.80 SRD5A2 (0.54) SRD5A2KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL15099347 0.78 KDM4E (0.49) SRD5A2MMP12MMP1KDM4EALDH1A1
SCHEMBL700154 0.77 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL30310641 0.77 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL699482 0.77 FLT3 (0.60) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL914490 0.77 KDM4E (0.54) SRD5A2KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL916058 0.77 SRD5A2 (0.49) SRD5A2KDM4EALDH1A1SMN1; SMN2NPC1

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
EP-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed