SCHEMBL28491809

SCHEMBL28491809

Cc1ccc2c(c1)N2C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.61
▸ POLB P06746 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ BCHE P06276 6/20 0.53
▸ P2RX4 Q99571 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ACHE P22303 4/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL28354389 0.78 ACHE (0.61) PDE5APOLBHTTBCHEMEN1
SCHEMBL28350878 0.77 PDE5A (1.00) PDE5APOLBHTTBCHEMEN1
SCHEMBL12559588 0.76 PDE5A (0.65) PDE5APOLBHTTBCHEMEN1
SCHEMBL31047667 0.75 CA9 (0.54) PDE5APOLBHTTBCHEP2RX4
SCHEMBL18485382 0.75 CA9 (0.54) PDE5APOLBHTTBCHEP2RX4
SCHEMBL8023047 0.74 P2RX4 (0.63) BCHEP2RX4ACHE
SCHEMBL25028114 0.72 PDE5A (0.48) PDE5APOLBHTTBCHEP2RX4
Water SCHEMBL27772122 0.72 P2RX4 (0.61) BCHEP2RX4ACHE
SCHEMBL28621728 0.69 BCHE (1.00) BCHEACHESMN1; SMN2LMNA
SCHEMBL16131284 0.68 P2RX4 (1.00) BCHEP2RX4MEN1KMT2ACYP3A4

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-109516980-B Bipolar material and organic light emitting diode element 邱天隆 2020-12-11 — — CN disclosed
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