SCHEMBL28835173

SCHEMBL28835173

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
P2RX1 P51575 6/20 0.46
KCNMA1 Q12791 1/20 0.46
TMPRSS4 Q9NRS4 5/20 0.45
P2RX4 Q99571 4/20 0.45
P2RX7 Q99572 4/20 0.45
MGLL Q99685 3/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL15245370 0.83 ALDH1A1 (0.39) CA1CA2P2RX1KCNMA1TMPRSS4
SCHEMBL28029365 0.78 CA1 (0.49) CA1CA2P2RX1KCNMA1TMPRSS4
SCHEMBL15077832 0.78 LMNA (0.51) KCNMA1MEN1KMT2AMAPTNPC1
SCHEMBL28029026 0.77 MEN1 (0.45) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL28821920 0.73 CA1 (0.44) CA1CA2P2RX1KCNMA1TMPRSS4
SCHEMBL6966672 0.73 CA1 (0.72) CA1CA2P2RX1KCNMA1TMPRSS4
SCHEMBL25382910 0.72 NR4A2 (0.56) MAPT
SCHEMBL28025572 0.72 RORB (0.47)
SCHEMBL23612260 0.72 F7 (0.63)
SCHEMBL28456387 0.72 CES2 (0.48) CA1CA2MAPTNPC1LMNA

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-106163506-A New formula 埃罗米克斯公司 2016-11-23 CN disclosed