SCHEMBL30081007

SCHEMBL30081007

O=C(O)N1CN=Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 13/20 0.40
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SCN4A P35499 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
P2RX1 P51575 5/20 0.37
P2RX3 P56373 5/20 0.37
P2RX7 Q99572 3/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
PTBP1 P26599 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7029078 1.00 P2RX4 (0.40) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL27822676 0.85 P2RX4 (0.51) P2RX4LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL28223433 0.84 LMNA (0.49) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL28222693 0.81 LMNA (0.39) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL28784154 0.80 P2RX4 (0.53) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL29843231 0.78 ADORA1 (0.43) P2RX4LMNATSHRP2RX1P2RX3
SCHEMBL28223383 0.77 LMNA (0.37) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL7020595 0.77 BCHE (0.44) P2RX4MAPK1SCN5ASCN9A
SCHEMBL7603456 0.75 KMT2A (0.40) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL7041384 0.73 P2RX4 (0.35) 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-115362150-A ENPP1 inhibitor, composition and application thereof 贝达药业股份有限公司 2022-11-18 CN disclosed