SCHEMBL4332039

SCHEMBL4332039

CC(=O)c1cccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
RECQL P46063 1/20 0.55
ENPP1 P22413 5/20 0.51
HSD11B1 P28845 1/20 0.50
HSD17B3 P37058 1/20 0.50
ENPP3 O14638 4/20 0.49
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
MAOB P27338 1/20 0.45
TP53 P04637 1/20 0.45
GPR17 Q13304 4/20 0.45
ENPP2 Q13822 1/20 0.45
P2RY2 P41231 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 1/20 0.43
KDM4A O75164 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
SCHEMBL4326069 0.85 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL4648365 0.85 MAOB (0.56) KMT2AMEN1MAPTALDH1A1MAOB
SCHEMBL22187248 0.82 MAPT (0.64) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL29671363 0.82 MAPT (0.64) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL10212054 0.79 MAPT (0.58) KMT2AMEN1MAPTRECQLNR4A1
SCHEMBL29673614 0.78 MAPT (0.68) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL22187449 0.78 MAPT (0.68) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL8393963 0.78 HSD11B1 (0.62) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL9000081 0.78 STS (0.53) KMT2AMEN1ALDH1A1MAOBSMN1; SMN2
SCHEMBL29673269 0.78 STS (0.53) KMT2AMEN1ALDH1A1MAOBSMN1; SMN2

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-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed