SCHEMBL28526867

SCHEMBL28526867

O=C1CC=CC2=C1NC(c1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NOS1 P29475 1/20 0.32
ALDH1A1 P00352 5/20 0.31
GFER P55789 1/20 0.31
BRD4 O60885 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
MAPK10 P53779 1/20 0.30
CTRB1 P17538 1/20 0.30

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
SCHEMBL28537495 0.86 ALDH1A1 (0.35) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL28528453 0.86 TDP1 (0.36) LMNA
SCHEMBL28540666 0.84 HTR2C (0.38) DDB1CRBNMEN1KMT2A
SCHEMBL28526866 0.82 PARP1 (0.39) DDB1CRBNMEN1KMT2AALDH1A1
SCHEMBL28540668 0.81 DDB1 (0.44) DDB1CRBNMEN1KMT2AKDM4E
SCHEMBL28528607 0.75 KMT2A (0.40) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL28535845 0.73
SCHEMBL28527345 0.73
SCHEMBL28907927 0.73 ALDH1A1 (0.32) ALDH1A1GFER
SCHEMBL16796843 0.70 DDB1 (0.52) SMN1; SMN2DDB1CRBNLMNAMEN1

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