SCHEMBL27970513

SCHEMBL27970513

Nc1cccc(N2CCOC(F)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.46
▸ GRM2 Q14416 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ BPTF Q12830 1/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ LGMN Q99538 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ AGXT P21549 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ GFER P55789 1/20 0.35

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
SCHEMBL28195408 0.82 AGXT (0.45) BPTFAGXT
SCHEMBL28195409 0.82 AGXT (0.45) BPTFAGXT
SCHEMBL8646463 0.82 LMNA (0.52) MAPTBPTFALDH1A1MEN1KMT2A
SCHEMBL22964535 0.81 ADRA2C (0.50) ADRA2CGRM2MAPTDDB1CRBN
SCHEMBL27869424 0.81 ADRB1 (0.50) GRM2MAPTALDH1A1MEN1KMT2A
SCHEMBL27883238 0.79 NOS3 (0.33) —
SCHEMBL15793091 0.76 KMO (0.33) BPTFKMO
SCHEMBL27680907 0.76 ADRA2C (0.41) ADRA2CGRM2MAPTDDB1CRBN
SCHEMBL16943125 0.74 ADRA2C (0.52) ADRA2CGRM2MAPTBPTFDDB1
SCHEMBL29371026 0.74 ADRA2C (0.61) ADRA2CMAPTALDH1A1MEN1KMT2A

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-102558085-B Method for preparing inezolid FANGSHENG PHARMACEUTICAL 2014-07-02 — — CN disclosed
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