SCHEMBL28236145

SCHEMBL28236145

CC=C(C)C.OCc1cc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
HRH4 Q9H3N8 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
AHR P35869 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
OPRK1 P41145 1/20 0.42
IDO1 P14902 1/20 0.42
RHEB Q15382 1/20 0.42
CHRNA7 P36544 1/20 0.41

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
SCHEMBL29777912 0.89 LOXL2 (0.64) LOXL2MTNR1AMTNR1BHRH4KDM4E
SCHEMBL1442945 0.89 LOXL2 (0.64) LOXL2MTNR1AMTNR1BHRH4KDM4E
Hydrochloric Acid SCHEMBL6129294 0.87 LOXL2 (0.62) LOXL2MTNR1AMTNR1BHRH4KDM4E
SCHEMBL7551798 0.79 MTNR1A (0.55) LOXL2MTNR1AMTNR1BHRH4MEN1
Tert-Butyl Formate SCHEMBL27999980 0.79 LOXL2 (0.45) LOXL2MTNR1AMTNR1BHRH4KDM4E
SCHEMBL6253992 0.77 MTNR1A (0.56) LOXL2MTNR1AMTNR1BHRH4MEN1
SCHEMBL1327113 0.77 LOXL2 (0.58) LOXL2MTNR1AMTNR1BHRH4KDM4E
SCHEMBL9027547 0.77 LOXL2 (0.58) LOXL2MTNR1AMTNR1BHRH4KDM4E
SCHEMBL2261199 0.74 LOXL2 (0.60) LOXL2MTNR1AMTNR1BHRH4AHR
SCHEMBL5642064 0.74 LOXL2 (0.60) LOXL2MTNR1AMTNR1BHRH4AHR

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-105732470-B The high efficiency preparation method of 3- fluoro-indole-2-carbonyl compound 暨南大学 2018-07-31 CN disclosed