SCHEMBL28029025

SCHEMBL28029025

CC(C)(C)c1ccc(N=[N+]=NC(=O)c2cc(Cl)ccc2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
KCNH2 Q12809 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
P2RX1 P51575 4/20 0.44
TMPRSS4 Q9NRS4 4/20 0.41
P2RX4 Q99571 2/20 0.41
P2RX7 Q99572 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HSD17B2 P37059 1/20 0.41
SERPINE1 P05121 1/20 0.41
SIRT1 Q96EB6 1/20 0.40
MEN1 O00255 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
KMT2A Q03164 1/20 0.39
MYLK Q15746 1/20 0.39

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
SCHEMBL28752076 0.89 TMPRSS4 (0.54) P2RX1TMPRSS4P2RX4P2RX7CA1
SCHEMBL28029365 0.88 CA1 (0.49) LMNAHTTSMN1; SMN2P2RX1TMPRSS4
SCHEMBL28029364 0.83 ALDH1A1 (0.45) LMNAHTTSMN1; SMN2P2RX1TMPRSS4
SCHEMBL28821920 0.83 CA1 (0.44) LMNAHTTSMN1; SMN2P2RX1TMPRSS4
SCHEMBL28105012 0.82 TMPRSS4 (0.55) P2RX1TMPRSS4P2RX4P2RX7CA1
SCHEMBL28029023 0.80 KLKB1 (0.44) LMNAHTTSMN1; SMN2P2RX1TMPRSS4
SCHEMBL27582539 0.78 P2RX1 (0.54) LMNAP2RX1TMPRSS4P2RX4P2RX7
SCHEMBL28029031 0.78 AR (0.50) LMNAP2RX1CA1CA2KMT2A
SCHEMBL27599969 0.78 TMPRSS4 (0.46) P2RX1TMPRSS4P2RX4P2RX7CA1
SCHEMBL28821963 0.77 CA1 (0.43) LMNAP2RX1TMPRSS4P2RX4P2RX7

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