SCHEMBL6980332

SCHEMBL6980332

COc1ccc2c(c1)OC(C(C)(C)C)CN2C(=O)O.Cc1ccc(S(=O)(=O)O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
GAA P10253 1/20 0.36
CREBBP Q92793 1/20 0.36
PKM P14618 2/20 0.35
RORC P51449 1/20 0.35
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6977591 0.86 TP53 (0.40) EPHX2MAPTTP53THRBSMN1; SMN2
SCHEMBL3387468 0.71 KMT2A (0.51) MAPTTP53CYP3A4CYP2C9LMNA
SCHEMBL23003874 0.69 NOTUM (0.41) MAPTTP53THRBMEN1KMT2A
SCHEMBL8662870 0.67 CTNNB1 (0.41) EPHX2TP53THRBSMN1; SMN2LMNA
SCHEMBL1817467 0.67 PKM (0.55) SMN1; SMN2LMNAMEN1KMT2AGAA
SCHEMBL10497795 0.66 SMN1; SMN2 (0.54) SMN1; SMN2LMNAMEN1KMT2AGAA
SCHEMBL7822268 0.66 ALDH1A1 (0.39) MAPTTP53THRBCYP3A4CYP2C9
SCHEMBL26645 0.64 MEP1B (0.49) MAPTTP53SMN1; SMN2LMNAMEN1
SCHEMBL29454656 0.64 MEP1B (0.49) MAPTTP53SMN1; SMN2LMNAMEN1
SCHEMBL3359225 0.64 KMT2A (0.46) CYP3A4CYP2C9LMNAMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140925-B1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES WYETH CORP (US) 2003-04-23 EP disclosed
US-6313114-B1 ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1140925-A1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040580-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed