SCHEMBL23547232

SCHEMBL23547232

Cc1ccc(-c2ncc3cnc(-c4ccccc4)cn23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
LIMK1 P53667 2/20 0.50
MAPK14 Q16539 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CHEK1 O14757 2/20 0.50
SLC2A1 P11166 1/20 0.44
ALDH1A3 P47895 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 3/20 0.42
FYN P06241 3/20 0.42

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
SCHEMBL23547231 0.85 CYP2A6 (0.55) KDM4EALDH1A1RAB9ASMN1; SMN2FYN
SCHEMBL23547222 0.83 MEN1 (0.43) KDM4EALDH1A1LIMK1MAPK14MAPT
SCHEMBL23535588 0.82 LDHA (0.53) KDM4EALDH1A1LIMK1MAPK14MAPT
SCHEMBL28963414 0.82 ALDH1A1 (0.45) KDM4EALDH1A1LIMK1MAPK14MAPT
SCHEMBL23535500 0.80 MKNK1 (0.51) KDM4EALDH1A1LIMK1MAPK14MAPT
SCHEMBL23535509 0.80 ALDH1A1 (0.51) KDM4EALDH1A1MAPTALDH1A3MKNK1
SCHEMBL23547241 0.76 MKNK1 (0.59) ALDH1A1MKNK1MKNK2SMN1; SMN2TSHR
SCHEMBL23547234 0.76 KMT2A (0.45) KDM4EALDH1A1LIMK1MAPK14MAPT
SCHEMBL17055512 0.75 MEN1 (0.55) KDM4EALDH1A1MAPTTDP1SLC2A1
SCHEMBL23535481 0.75 CACNA1B (0.52) KDM4EALDH1A1MAPTTDP1KMT2A

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-2021126923-A1 CD206 MODULATORS THEIR USE AND METHODS FOR PREPARATION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2021-06-24 WO disclosed