SCHEMBL29444556

SCHEMBL29444556

CN(C)[N+](C)(C)COn1nnc2cccnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.36
MGLL Q99685 2/20 0.36
BRD4 O60885 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32

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
SCHEMBL30714073 0.95 FAAH (0.34) FAAHMGLLBRD4TSHRNPSR1
SCHEMBL29444554 0.80 TSHR (0.56) BRD4TSHRNPSR1RXFP1SMN1; SMN2
SCHEMBL8448754 0.78 FAAH (0.47) FAAHMGLLBRD4TSHRNPSR1
SCHEMBL758556 0.77 FAAH (0.36) FAAHMGLLBRD4TUBB4ATUBB
SCHEMBL30062492 0.76 TSHR (0.51) BRD4TSHRNPSR1RXFP1SMN1; SMN2
SCHEMBL30928284 0.75 FAAH (0.32) FAAHMGLLBRD4TUBB4ATUBB
SCHEMBL798141 0.73 FAAH (0.41) FAAHMGLLBRD4TUBB4ATUBB
SCHEMBL1984416 0.73 TUBB4A (0.38) FAAHMGLLBRD4TSHRNPSR1
SCHEMBL25434842 0.72 FAAH (0.38) FAAHMGLLBRD4TSHRNPSR1
SCHEMBL22123254 0.72 CHRNB2 (0.40) FAAHMGLLBRD4TSHRNPSR1

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-109152771-B Use of 2-substituted indazoles for the treatment and prevention of autoimmune diseases 拜耳医药股份有限公司 2022-07-19 CN disclosed
CN-110305109-B Novel substituted indazoles, method for the production thereof, pharmaceutical preparations containing same, and use thereof for producing medicaments 拜耳医药股份有限公司 2022-04-08 CN disclosed