SCHEMBL28899237

SCHEMBL28899237

O=c1c([Se]c2ccccc2)c(-c2ccccc2)oc2ccc(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.50
GABRD O14764 5/20 0.50
GABRA1 P14867 5/20 0.50
GABRB1 P18505 5/20 0.50
GABRG2 P18507 5/20 0.50
GABRB3 P28472 5/20 0.50
GABRA5 P31644 5/20 0.50
GABRA3 P34903 5/20 0.50
GABRA2 P47869 5/20 0.50
GABRB2 P47870 5/20 0.50
GABRA4 P48169 5/20 0.50
GABRE P78334 5/20 0.50
GABRA6 Q16445 5/20 0.50
GABRG1 Q8N1C3 5/20 0.50
GABRG3 Q99928 5/20 0.50
GABRQ Q9UN88 5/20 0.50
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL28462076 0.90 KDM4E (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28456775 0.85 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28463118 0.83 KMT2A (0.58) KMT2AKDM4ESMN1; SMN2LMNAADORA3
SCHEMBL1534555 0.78 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28458849 0.76 CA1 (0.53) KMT2AKDM4ELMNAADORA3MAPT
SCHEMBL28462269 0.76 KDM4E (0.50) KMT2AKDM4ESMN1; SMN2LMNAADORA3
SCHEMBL28458177 0.75 LMNA (0.57) KMT2AKDM4ESMN1; SMN2LMNAADORA3
SCHEMBL28456772 0.75 ADORA3 (0.58) KMT2AKDM4ESMN1; SMN2LMNAADORA3
SCHEMBL28450168 0.75 RET (0.60) KMT2AKDM4ESMN1; SMN2LMNAADORA3
SCHEMBL29997711 0.74 KMT2A (0.47) GABRPGABRDGABRA1GABRB1GABRG2

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-111635387-B Synthesis method of chromone derivative 都创(上海)医药科技股份有限公司 2022-04-29 CN disclosed
CN-111635387-A Synthesis method of chromone derivative 都创(上海)医药科技有限公司 2020-09-08 CN disclosed