SCHEMBL28540668

SCHEMBL28540668

COc1cccc(C2CCC3=C(N2)C(=O)CC=C3)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
HTR2C P28335 2/20 0.41
ADRA1A P35348 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GPR174 Q9BXC1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 3/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
GID4 Q8IVV7 1/20 0.37

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
SCHEMBL28540666 0.84 HTR2C (0.38) DDB1CRBNHTR2CMEN1KMT2A
SCHEMBL28526867 0.81 SMN1; SMN2 (0.34) DDB1CRBNMEN1KMT2AKDM4E
SCHEMBL28528607 0.79 KMT2A (0.40) MEN1KMT2AL3MBTL1KDM4E
SCHEMBL8538828 0.77 DDB1 (0.62) DDB1CRBNHTR2CMEN1KMT2A
SCHEMBL28537495 0.76 ALDH1A1 (0.35) MEN1KMT2ANPC1KDM4EGAA
SCHEMBL28528453 0.74 TDP1 (0.36) GPR174
SCHEMBL7671819 0.71 DDB1 (0.54) DDB1CRBNHTR2CMEN1KMT2A
SCHEMBL28526866 0.71 PARP1 (0.39) DDB1CRBNHTR2CMEN1KMT2A
SCHEMBL5681605 0.69 HTR2C (0.48) DDB1CRBNHTR2CADRA1AMEN1
SCHEMBL29746300 0.69 GID4 (0.51) DDB1CRBNHTR2CADRA1AMEN1

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-112480112-B Method for synthesizing substituted dihydrophenanthroline compound 浙江工业大学 2021-10-15 CN disclosed
CN-112480112-A Method for synthesizing substituted dihydrophenanthroline compound 浙江工业大学 2021-03-12 CN disclosed