SCHEMBL27344201

SCHEMBL27344201

Cc1nc2c(CN3CCOCC3)c(C(=O)Nc3ccccc3Cl)[nH]c2s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.42
PTGES O14684 2/20 0.41
POLB P06746 3/20 0.41
CDK2 P24941 1/20 0.41
FLT3 P36888 1/20 0.41
CCNA1 P78396 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL34461726 0.86 KDM4E (0.46) KDM4ERAB9ANPC1KMT2APOLB
SCHEMBL27344301 0.85 MAPK1 (0.42) KDM4ERAB9ANPC1KMT2APOLB
SCHEMBL27344098 0.83 KDM4E (0.44) KDM4ERAB9ANPC1KMT2APTGES
SCHEMBL27344209 0.80 RAB9A (0.45) KDM4ERAB9ANPC1KMT2APTGES
SCHEMBL27348584 0.80 KDM4E (0.43) KDM4ERAB9ANPC1KMT2APOLB
SCHEMBL30702700 0.80 KDM4E (0.43) KDM4ERAB9ANPC1KMT2APOLB
SCHEMBL30702710 0.79 HTT (0.42) KDM4ERAB9ANPC1KMT2APOLB
SCHEMBL30702708 0.79 HTT (0.42) KDM4ERAB9ANPC1KMT2APOLB
SCHEMBL27347623 0.79 KDM4E (0.43) KDM4ERAB9APTGESPOLBCDK2
SCHEMBL27344211 0.78 ROCK2 (0.45) KDM4ERAB9ANPC1POLBCDK2

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-2024011294-A1 ANTI-GIARDIAL COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2024-01-18 WO disclosed