SCHEMBL8718849

SCHEMBL8718849

O=C(O)c1cccc2c1ccc1ccccc12.[HH].[HH]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.74
▸ NR4A2 P43354 1/20 0.74
▸ NR4A3 Q92570 1/20 0.74
▸ CDC25B P30305 1/20 0.59
▸ WDR5 P61964 1/20 0.58
▸ LDHA P00338 1/20 0.56
▸ SOS1 Q07889 2/20 0.55
▸ HPRT1 P00492 1/20 0.54
▸ PTPN1 P18031 2/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ CSNK2A2 P19784 1/20 0.50
▸ CSNK2B P67870 1/20 0.50
▸ CSNK2A1 P68400 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ GAA P10253 1/20 0.49

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
SCHEMBL1261457 0.98 NR4A1 (0.77) NR4A1NR4A2NR4A3CDC25BWDR5
SCHEMBL1000484 0.98 NR4A1 (0.77) NR4A1NR4A2NR4A3CDC25BWDR5
Naphthalene SCHEMBL30683594 0.96 NR4A1 (0.74) NR4A1NR4A2NR4A3CDC25BWDR5
Naphthoic Acid SCHEMBL8715113 0.88 NR4A1 (0.95) NR4A1NR4A2NR4A3CDC25BWDR5
Naphthoic Acid SCHEMBL28491085 0.88 NR4A1 (0.95) NR4A1NR4A2NR4A3CDC25BWDR5
Naphthoic Acid SCHEMBL17258 0.86 NR4A1 (1.00) NR4A1NR4A2NR4A3CDC25BWDR5
Phenanthrene SCHEMBL31651179 0.86 NR4A1 (0.75) NR4A1NR4A2NR4A3CDC25BWDR5
Naphthoic Acid SCHEMBL29352220 0.86 NR4A1 (1.00) NR4A1NR4A2NR4A3CDC25BWDR5
Naphthoic Acid SCHEMBL30233567 0.86 NR4A1 (1.00) NR4A1NR4A2NR4A3CDC25BWDR5
Phenanthrene SCHEMBL29265471 0.86 NR4A1 (0.75) NR4A1NR4A2NR4A3CDC25BWDR5

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
US-5814894-A POLYIMIDES WITH ETHER, SULFONE, SILOXANE COPOLYMERS NITTO DENKO CORPORATION (JP) 1998-09-29 — — US disclosed
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