SCHEMBL6977591

SCHEMBL6977591

CC(C)(C)C1CN(C(=O)O)c2ccccc2O1.Cc1ccc(S(=O)(=O)O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.40
THRB P10828 2/20 0.40
EPHX2 P34913 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CREBBP Q92793 1/20 0.35
GAA P10253 1/20 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
SCHEMBL6980332 0.86 EPHX2 (0.38) TP53THRBEPHX2MAPTMEN1
SCHEMBL23003874 0.83 NOTUM (0.41) TP53THRBMAPTMEN1KMT2A
SCHEMBL3892250 0.73 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL28601064 0.71 SIRT1 (0.36) TP53THRBTDP1MAPTMEN1
SCHEMBL12614499 0.71 CASR (0.45) TP53THRBTDP1MAPTMEN1
SCHEMBL12614257 0.69 TP53 (0.43) TP53THRBTDP1MAPTMEN1
SCHEMBL26645 0.68 MEP1B (0.49) TP53TDP1MAPTMEN1KMT2A
SCHEMBL29454656 0.68 MEP1B (0.49) TP53TDP1MAPTMEN1KMT2A
SCHEMBL21382123 0.68 PTGS1 (0.39) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL12614283 0.67 CASR (0.42) TP53THRBTDP1MAPTMEN1

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 6 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
US-6221863-B1 TREATING DEPRESSION IN A PATIENT AMERICAN HOME PRODUCTS CORP. 2001-04-24 US disclosed
WO-2000040581-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO 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