SCHEMBL7565085

SCHEMBL7565085

COc1c(C)ccc2[nH]c(=O)c(C(=O)N(C)c3ccccc3)c(N)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PTGS2 P35354 1/20 0.38
TSHR P16473 2/20 0.36
ATM Q13315 1/20 0.35
PGR P06401 1/20 0.34
MAP3K5 Q99683 1/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PLAU P00749 1/20 0.34
NPC1 O15118 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GAA P10253 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL7557482 0.86 PTGS2 (0.36) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7565042 0.82 ALOX5 (0.36) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7560716 0.82 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11291425 0.76 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6204567 0.76 HDAC4 (0.49) ALDH1A1SMN1; SMN2MAPT
SCHEMBL7556725 0.75 KMT2A (0.43) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7818937 0.75 PTGS2 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL7829055 0.74 PTGS2 (0.40) KMT2AMEN1PTGS2TSHRPGR
SCHEMBL7828560 0.74 GPBAR1 (0.40) KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL7555419 0.74 PTGS2 (0.46) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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
EP-1224172-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS Active Biotech AB (SE) 2002-07-24 EP claimed
WO-2001030758-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2001-05-03 WO claimed