SCHEMBL28210571

SCHEMBL28210571

COc1nnnn1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
ALDH1A1 P00352 7/20 0.51
TSHR P16473 2/20 0.51
P2RX7 Q99572 4/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
SLC9A1 P19634 1/20 0.45
GRM2 Q14416 1/20 0.45

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
Hydrochloric Acid SCHEMBL27925071 0.98 LMNA (0.55) LMNAALDH1A1TSHRP2RX7KMT2A
SCHEMBL7684043 0.85 ALDH1A1 (0.54) LMNAALDH1A1TSHRHTTPOLB
SCHEMBL6352533 0.79 P2RX7 (0.61) LMNAALDH1A1TSHRP2RX7KMT2A
SCHEMBL2091467 0.77 ALDH1A1 (0.57) LMNAALDH1A1TSHRP2RX7KMT2A
SCHEMBL3035928 0.77 LMNA (0.62) LMNAALDH1A1TSHRP2RX7KMT2A
SCHEMBL6361740 0.75 P2RX7 (0.65) LMNAALDH1A1TSHRP2RX7KMT2A
SCHEMBL950429 0.75 ATM (0.44) LMNAALDH1A1TSHRP2RX7KMT2A
SCHEMBL4408444 0.74 LMNA (0.59) LMNAALDH1A1TSHRP2RX7KMT2A
SCHEMBL2163180 0.74 LMNA (0.59) LMNAALDH1A1TSHRP2RX7KMT2A
SCHEMBL156417 0.74 ALDH1A1 (0.66) LMNAALDH1A1TSHRP2RX7KMT2A

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-107922394-A 3 tetrazole radical benzene, 1,2 disulfonic acid amide derivative as metal beta lactamase restrainer 默沙东公司 2018-04-17 CN disclosed