SCHEMBL7644901

SCHEMBL7644901

COC(=O)c1ccc(CC(=O)Nc2ccc(C(=O)Nc3ccc(C=Cc4ccccc4)c(C(=O)O)c3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NPC1 O15118 1/20 0.58
KMT2A Q03164 10/20 0.51
MEN1 O00255 9/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
PTPN1 P18031 1/20 0.48
PKM P14618 1/20 0.46
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SNCA P37840 1/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL7649936 0.85 NPC1 (0.63) RAB9ANPC1KMT2AMEN1MAPK1
SCHEMBL7528772 0.82 PTPN1 (0.46) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL7528775 0.82 PTPN1 (0.46) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL7528779 0.82 PTPN1 (0.46) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL7528948 0.81 KMT2A (0.57) RAB9ANPC1KMT2AMEN1PTPN1
SCHEMBL7528955 0.81 KMT2A (0.57) RAB9ANPC1KMT2AMEN1PTPN1
SCHEMBL7646346 0.79 ALDH1A1 (0.53) RAB9ANPC1KMT2AMEN1MAPK1
SCHEMBL7529029 0.74 SNCA (0.46) RAB9ANPC1KMT2AMAPK1ALDH1A1
SCHEMBL7529037 0.74 SNCA (0.43) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL7529027 0.74 SNCA (0.43) RAB9ANPC1KMT2AMEN1POLB

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
US-6479548-B2 P-(BENZOYLAMINO)STILBENE DERIVATIVES TELIK, INC. 2002-11-12 US disclosed