SCHEMBL24329665

SCHEMBL24329665

CN1C(=O)/C(=C2\CC(c3ccccc3)NN2)C(O)N(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.40
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B2 P37059 5/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL24328743 0.79 BRD4 (0.42) BRD4TSHRKMT2AHSD17B2KDM4E
SCHEMBL24329754 0.73 BRD4 (0.42) BRD4TSHRKMT2AHSD17B2KDM4E
SCHEMBL24329187 0.70 KCNH2 (0.38) BRD4KMT2AMAPTALDH1A1HPGD
SCHEMBL24328744 0.66 MEN1 (0.39) KMT2AKDM4EALDH1A1HPGD
SCHEMBL24329099 0.65 KMT2A (0.40) KMT2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL24328749 0.64 NPSR1 (0.46) MAPTALDH1A1
SCHEMBL5179397 0.64 SMN1; SMN2 (0.43) BRD4TSHRKMT2AMAPTSMN1; SMN2
SCHEMBL24329755 0.63
SCHEMBL10639788 0.57 BRD4 (0.54) BRD4TSHRKMT2AMAPTSMN1; SMN2
SCHEMBL16771496 0.57 BRD4 (1.00) BRD4TSHRKMT2AKDM4EMAPT

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
WO-2022080346-A1 NOVEL NITROGEN-CONTAINING CYCLIC COMPOUND AND APPLICATION THEREOF 国立大学法人佐賀大学 2022-04-21 WO disclosed