SCHEMBL28450673

SCHEMBL28450673

O=c1c(-c2ccsc2)c(-c2ccccc2)oc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 2/20 0.48
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 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
SCHEMBL28455072 0.84 PLA2G2A (0.58) KMT2AKDM4ESMN1; SMN2LMNAPLA2G2A
SCHEMBL28450669 0.81 KMT2A (0.51) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL28458798 0.78 KDM4E (0.48) KMT2AKDM4ESMN1; SMN2LMNAPLA2G2A
SCHEMBL30413690 0.76 GABRP (0.54) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL1819136 0.76 GABRP (0.54) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL1534555 0.76 GABRP (0.55) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL1534564 0.75 MAPT (0.46) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL28466564 0.74 RET (0.59) KMT2AKDM4ESMN1; SMN2LMNAPLA2G2A
SCHEMBL28899237 0.74 GABRP (0.50) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL8860 0.73 KDM4E (0.58) KMT2AGABRPGABRDGABRA1GABRB1

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