SCHEMBL30720926

SCHEMBL30720926

Cc1nc(OC2(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 14/20 0.38
S1PR4 O95977 2/20 0.35
MAPT P10636 2/20 0.35
S1PR1 P21453 2/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 2/20 0.35
JAK2 O60674 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GSR P00390 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33

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
SCHEMBL25133344 1.00 TXNRD1 (0.38) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL1428159 0.77 TXNRD1 (0.58) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL7836090 0.76 TXNRD1 (0.56) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL7836091 0.76 TXNRD1 (0.56) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL7836089 0.76 TXNRD1 (0.56) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL17372594 0.74 TXNRD1 (0.48) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL25133374 0.74 NNMT (0.32)
SCHEMBL29927394 0.74 NNMT (0.32)
SCHEMBL16126094 0.73 TXNRD1 (0.40) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL14938577 0.73 TXNRD1 (0.43) TXNRD1S1PR4MAPTS1PR1MAPK1

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-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 CN disclosed