SCHEMBL31067286

SCHEMBL31067286

CN1c2ccccc2Oc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
P2RX4 Q99571 13/20 0.48
MAOA P21397 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
P2RX1 P51575 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL47007 1.00 KDM4E (0.55) KDM4EALDH1A1P2RX4MAOASMN1; SMN2
Hydrogen Sulfide SCHEMBL28845788 0.97 KDM4E (0.53) KDM4EALDH1A1P2RX4MAOASMN1; SMN2
Formic Acid SCHEMBL8502185 0.87 P2RX4 (0.49) KDM4EALDH1A1P2RX4SMN1; SMN2GAA
SCHEMBL12841614 0.84 KDM4E (0.47) KDM4EALDH1A1P2RX4SMN1; SMN2GLA
SCHEMBL12776591 0.84 SMN1; SMN2 (0.59) KDM4EALDH1A1P2RX4MAOASMN1; SMN2
SCHEMBL15183513 0.84 KDM4E (0.47) KDM4EALDH1A1P2RX4SMN1; SMN2GLA
SCHEMBL4012288 0.83 KDM4E (0.46) KDM4EALDH1A1P2RX4MAOASMN1; SMN2
SCHEMBL18637369 0.82 KDM4E (0.54) KDM4EALDH1A1P2RX4
SCHEMBL19417365 0.82 KDM4E (0.46) KDM4EALDH1A1P2RX4MAOASMN1; SMN2
SCHEMBL13445191 0.82 KDM4E (0.46) KDM4EALDH1A1P2RX4MAOASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496244-A Rhodium catalyzed C-H cyclization construction of pyridophenothiazine/oxa/selenazinium salt organic single molecule white light material 重庆大学 2024-08-16 CN claimed
CN-118496244-A Rhodium catalyzed C-H cyclization construction of pyridophenothiazine/oxa/selenazinium salt organic single molecule white light material 重庆大学 2024-08-16 CN disclosed