SCHEMBL30901818

SCHEMBL30901818

Cc1oc2ccc(Br)cc2c(=O)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PIM1 P11309 1/20 0.49
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
PTPN1 P18031 1/20 0.45
CASP6 P55212 1/20 0.44
KCNH2 Q12809 1/20 0.44
GABRP O00591 3/20 0.44
GABRD O14764 3/20 0.44

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
SCHEMBL3894812 0.85 CDK9 (0.50) KMT2AKDM4ELMNASMN1; SMN2PIM1
SCHEMBL2588529 0.81 PIM1 (0.58) KMT2AKDM4ELMNASMN1; SMN2PIM1
SCHEMBL29416622 0.81 PIM1 (0.58) KMT2AKDM4ELMNASMN1; SMN2PIM1
SCHEMBL11228880 0.79 SMN1; SMN2 (0.67) KMT2AKDM4ELMNASMN1; SMN2MAPT
SCHEMBL19217398 0.79 CSNK2A2 (0.62) KMT2AKDM4ELMNASMN1; SMN2PIM1
SCHEMBL8860 0.78 KDM4E (0.58) KMT2AKDM4ELMNASMN1; SMN2TP53
SCHEMBL9163 0.77 GABRP (0.58) KMT2AKDM4ELMNASMN1; SMN2PIM1
SCHEMBL8709574 0.76 ALDH1A1 (0.53) KMT2AKDM4ELMNASMN1; SMN2PIM1
SCHEMBL8927 0.76 KDM4E (0.60) KMT2AKDM4ELMNASMN1; SMN2PIM1
SCHEMBL1992744 0.75 CSNK2A2 (0.55) KMT2AKDM4ELMNASMN1; SMN2PIM1

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-117843601-A Method for synthesizing benzopyrone 1, 2-migration product by acid catalysis 中国人民解放军陆军军医大学第二附属医院 2024-04-09 CN disclosed