SCHEMBL24477384

SCHEMBL24477384

CC[C@@H](C)c1nc2[nH]c3ccccc3n2c(=O)c1CF

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PDE2A O00408 1/20 0.39
PDE6D O43924 1/20 0.39
PDE8A O60658 1/20 0.39
PDE5A O76074 1/20 0.39
PDE9A O76083 1/20 0.39
PDE8B O95263 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39
PDE4A P27815 1/20 0.39
PDE6B P35913 1/20 0.39
PDE6C P51160 1/20 0.39
PDE1A P54750 1/20 0.39

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
SCHEMBL24477380 1.00 KMT2A (0.44) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL24477398 1.00 KMT2A (0.44) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL24477382 0.91 RAB9A (0.45) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL24477381 0.91 RAB9A (0.45) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL24477397 0.91 RAB9A (0.45) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL24477379 0.91 KDM4E (0.51) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL24477385 0.91 KDM4E (0.51) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL24477393 0.91 KDM4E (0.51) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL24477378 0.88 RAB9A (0.46) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL24477357 0.88 KDM4E (0.41) KMT2AMEN1POLBKDM4EALDH1A1

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-2022111473-A1 COMPOUNDS AS MRGPRX2 ANTAGONISTS BIOARDIS LLC (US) 2022-06-02 WO disclosed