SCHEMBL24477388

SCHEMBL24477388

CCC(C)c1nc2[nH]c3ccccc3n2c(=O)c1CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 9/20 0.42
ALDH1A1 P00352 7/20 0.42
HPGD P15428 6/20 0.42
GAA P10253 5/20 0.41
MAPT P10636 4/20 0.41
APAF1 O14727 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.40
NOD2 Q9HC29 1/20 0.40
GLA P06280 3/20 0.38
STAT6 P42226 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL24477378 0.91 RAB9A (0.46) KMT2AMEN1POLBRAB9ANPC1
SCHEMBL24477381 0.89 RAB9A (0.45) KMT2AMEN1POLBRAB9ANPC1
SCHEMBL24477382 0.89 RAB9A (0.45) KMT2AMEN1POLBRAB9ANPC1
SCHEMBL24477397 0.89 RAB9A (0.45) KMT2AMEN1POLBRAB9ANPC1
SCHEMBL24477393 0.89 KDM4E (0.51) KMT2AMEN1POLBRAB9ANPC1
SCHEMBL24477385 0.89 KDM4E (0.51) KMT2AMEN1POLBRAB9ANPC1
SCHEMBL24477379 0.89 KDM4E (0.51) KMT2AMEN1POLBRAB9ANPC1
SCHEMBL24477398 0.86 KMT2A (0.44) KMT2AMEN1POLBRAB9ANPC1
SCHEMBL24477384 0.86 KMT2A (0.44) KMT2AMEN1POLBRAB9ANPC1
SCHEMBL24477380 0.86 KMT2A (0.44) KMT2AMEN1POLBRAB9ANPC1

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