SCHEMBL8535277

SCHEMBL8535277

[O]c1ccccc1-c1cc(O)c(Sc2ccccc2)c(=O)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPK1 P28482 2/20 0.38
NSD2 O96028 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 5/20 0.35
CYP3A4 P08684 5/20 0.35
CYP2C19 P33261 5/20 0.35
CYP2C9 P11712 4/20 0.35
TP53 P04637 3/20 0.35

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
SCHEMBL7397801 0.82 SMN1; SMN2 (0.54) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6960232 0.77 SMN1; SMN2 (0.42) BCL2MCL1MEN1KMT2AALDH1A1
SCHEMBL7371787 0.75 MAPK1 (0.37) BCL2MCL1MEN1KMT2AMAPT
SCHEMBL11792467 0.75 MEN1 (0.45) BCL2MCL1MEN1KMT2AMAPT
SCHEMBL6958076 0.74 SMN1; SMN2 (0.58) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL8536182 0.73 ALDH1A1 (0.36) BCL2MCL1MEN1KMT2AMAPT
SCHEMBL6965057 0.72 SMN1; SMN2 (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6965119 0.72 SMN1; SMN2 (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6959912 0.72 ATM (0.43) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9050073 0.71 ADORA3 (0.41) MEN1KMT2AMAPTALDH1A1KDM4E

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed