SCHEMBL28259385

SCHEMBL28259385

C=CCOC(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.65
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
PKM P14618 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
BLM P54132 1/20 0.61
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
MMP9 P14780 1/20 0.58
AANAT Q16613 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SIRT1 Q96EB6 1/20 0.56
TRPV1 Q8NER1 1/20 0.55

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
SCHEMBL25076810 0.85 SPR (0.63) CYP1A2BLMKDM4EMAPTTRPV1
SCHEMBL20927525 0.82 MEN1 (0.74) FAAHMEN1KMT2ALMNACYP1A2
SCHEMBL9116981 0.81 NMBR (0.73) FAAHMEN1KMT2ALMNACYP1A2
SCHEMBL19889081 0.81 MEN1 (0.68) FAAHMEN1KMT2ALMNACYP1A2
SCHEMBL20545390 0.81 KDM4E (0.50) MEN1KMT2ALMNATSHRBLM
SCHEMBL20545391 0.81 KDM4E (0.50) MEN1KMT2ALMNATSHRBLM
SCHEMBL20546588 0.81 KDM4E (0.50) MEN1KMT2ALMNATSHRBLM
SCHEMBL28872516 0.80 TACR3 (0.74) FAAHMEN1KMT2ALMNACYP1A2
SCHEMBL10824173 0.80 MTNR1A (0.69) FAAHMEN1KMT2ALMNACYP1A2
SCHEMBL8802296 0.80 FAAH (0.63) FAAHMEN1KMT2ALMNACYP1A2

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
CN-108997352-A It can be seen that the method for light-initiated asymmetric syntheses 3- nitrogen oxygroup pyrroles [2,3-b] Benzazole compounds 云南大学 2018-12-14 CN disclosed