SCHEMBL30009929

SCHEMBL30009929

NC(=O)c1ccc(C#Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.79
LMNA P02545 1/20 0.71
GAA P10253 1/20 0.71
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
HSP90AA1 P07900 1/20 0.55
MAPT P10636 1/20 0.55
OPRK1 P41145 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CES1 P23141 2/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
CYP3A4 P08684 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
Terephthalamide SCHEMBL27950892 0.89 TSHR (1.00) TSHRLMNAGAAALDH1A1CES1
SCHEMBL260727 0.89 TSHR (1.00) TSHRLMNAGAAALDH1A1CES1
Hydrochloric Acid SCHEMBL11203029 0.87 TSHR (0.96) TSHRLMNAGAAALDH1A1CES1
Hydrochloric Acid SCHEMBL27509957 0.85 TSHR (0.92) TSHRLMNAGAAALDH1A1CES1
Methyl Alcohol SCHEMBL27858599 0.85 TSHR (0.92) TSHRLMNAGAAALDH1A1MAPT
SCHEMBL9138038 0.84 TDP1 (0.78) TSHRALDH1A1MEN1HSP90AA1MAPT
SCHEMBL5696165 0.83 TSHR (0.88) TSHRLMNAGAAALDH1A1CES1
SCHEMBL14664048 0.82 CASP3 (0.63) TSHRLMNAALDH1A1MEN1HSP90AA1
SCHEMBL28255744 0.82 PARP10 (0.53) TSHRALDH1A1MAPTKMT2ACA1
SCHEMBL21066944 0.81 ALDH1A1 (0.58) TSHRLMNAGAAALDH1A1MEN1

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-110300578-B Compounds for the treatment of respiratory diseases in cattle or pigs 英特维特国际股份有限公司 2022-12-13 CN disclosed