SCHEMBL30719756

SCHEMBL30719756

CC(C)(C)C(=O)N1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 16/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
SCN4A P35499 1/20 0.58
SCN5A Q14524 1/20 0.58
SCN9A Q15858 1/20 0.58
P2RX1 P51575 5/20 0.56
P2RX3 P56373 5/20 0.56
P2RX7 Q99572 2/20 0.56
PTBP1 P26599 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50

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
SCHEMBL11619656 0.81 LMNA (0.58) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL9332938 0.81 LMNA (0.58) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL7980250 0.78 P2RX4 (0.67) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL11306313 0.76 NOX1 (0.65) MEN1KMT2A
SCHEMBL18637944 0.75 HSD17B3 (0.53) P2RX4MEN1KMT2ALMNATSHR
Carbamazepine SCHEMBL28220906 0.74 LMNA (0.92) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL2211282 0.74 LMNA (0.64) P2RX4LMNATSHRMAPK1SCN4A
Hydrochloric Acid SCHEMBL5862630 0.74 P2RX4 (0.66) P2RX4LMNATSHRMAPK1SCN4A
Carbamazepine SCHEMBL21639 0.74 LMNA (1.00) P2RX4LMNATSHRMAPK1SCN4A
Carbamazepine SCHEMBL6477112 0.74 LMNA (1.00) P2RX4LMNATSHRMAPK1SCN4A

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-113773277-B Synthesis method of 4H-1,2, 4-benzothiadiazine-1, 1-dioxide derivative 兰州大学 2023-12-05 CN disclosed