SCHEMBL28029026

SCHEMBL28029026

[N-]=[N+]=NC(=O)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CES2 O00748 2/20 0.45
TMPRSS4 Q9NRS4 8/20 0.42
P2RX1 P51575 8/20 0.40
P2RX4 Q99571 4/20 0.40
P2RX7 Q99572 4/20 0.40
PDE2A O00408 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC2A1 P11166 1/20 0.38
NPC1 O15118 1/20 0.38
CRHBP P24387 1/20 0.38
RAB9A P51151 1/20 0.38
CRHR2 Q13324 1/20 0.38
PIK3CA P42336 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38

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
SCHEMBL28835173 0.77 CA1 (0.55) MEN1KMT2ATMPRSS4P2RX1P2RX4
SCHEMBL28472299 0.76 CES2 (0.53) MEN1KMT2ACES2PDE2AHPGD
SCHEMBL130628 0.75 ALDH1A1 (0.59) MEN1KMT2ACES2TMPRSS4KDM4E
SCHEMBL17664303 0.74 CES2 (0.59) MEN1KMT2ACES2P2RX1ALDH1A1
SCHEMBL30062195 0.74 CES2 (0.52) MEN1KMT2ACES2TMPRSS4P2RX1
SCHEMBL27803367 0.74 CES2 (0.52) MEN1KMT2ACES2TMPRSS4P2RX1
SCHEMBL10786191 0.74 ALDH1A1 (0.58) MEN1KMT2ACES2TMPRSS4KDM4E
SCHEMBL27395327 0.74 CES2 (0.52) MEN1KMT2ACES2TMPRSS4P2RX1
SCHEMBL320481 0.74 CES2 (0.52) MEN1KMT2ACES2TMPRSS4P2RX1
SCHEMBL10455841 0.74 CES2 (0.52) MEN1KMT2ACES2TMPRSS4P2RX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104771386-A Benzamide compound and applications thereof GUANGZHOU INST BIOMED & HEALTH 2015-07-15 CN claimed
CN-104771386-A Benzamide compound and applications thereof GUANGZHOU INST BIOMED & HEALTH 2015-07-15 CN disclosed