SCHEMBL24916802

SCHEMBL24916802

COc1ccc(-c2ccccc2)cc1NN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACLY P53396 9/20 0.50
GAA P10253 2/20 0.48
MEN1 O00255 3/20 0.47
MGLL Q99685 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL4404651 0.85 KMT2A (0.52) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL18133119 0.82 ALDH1A1 (0.57) MAPTALDH1A1KMT2AHPGDLMNA
SCHEMBL13705489 0.81 KDM4E (0.53) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL13705572 0.78 KDM4E (0.50) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL13705498 0.76 MAPT (0.46) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL13705629 0.76 KDM4E (0.48) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL2261298 0.75 KDM4E (0.60) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL13705486 0.75 KDM4E (0.47) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL2245329 0.74 ALDH1A1 (0.47) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL31648930 0.74 ALDH1A1 (0.52) MAPTALDH1A1KMT2AKDM4EHPGD

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-2023000616-A1 METHOD FOR PREPARING BIFENAZATE 帕潘纳(北京)科技有限公司 2023-01-26 WO disclosed