SCHEMBL11277259

SCHEMBL11277259

O=[C]CCc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PBRM1 Q86U86 1/20 0.47
CYP19A1 P11511 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SRD5A2 P31213 2/20 0.46
CNR2 P34972 1/20 0.42
FOLH1 Q04609 1/20 0.42
MAPT P10636 2/20 0.41
PTGS1 P23219 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
PTGS2 P35354 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6453539 0.85 KMT2A (0.59) L3MBTL1ATMTDP1PBRM1CYP19A1
SCHEMBL7181724 0.84 ALDH1A1 (0.52) L3MBTL1ATMTDP1CYP19A1ALDH1A1
SCHEMBL4669025 0.81 TDP1 (0.61) L3MBTL1ATMTDP1PBRM1CYP19A1
SCHEMBL7394259 0.81 TDP1 (0.61) L3MBTL1ATMTDP1PBRM1CYP19A1
SCHEMBL27691637 0.79 L3MBTL1 (0.59) L3MBTL1ATMTDP1PBRM1CYP19A1
SCHEMBL10905589 0.79 ATM (0.59) L3MBTL1ATMTDP1PBRM1CYP19A1
SCHEMBL11301145 0.79 TDP1 (0.59) L3MBTL1ATMTDP1PBRM1CYP19A1
SCHEMBL3112767 0.79 KEAP1 (0.62) L3MBTL1ATMTDP1PBRM1CYP19A1
SCHEMBL7953016 0.79 L3MBTL1 (0.59) L3MBTL1ATMTDP1PBRM1CYP19A1
SCHEMBL7046114 0.77 L3MBTL1 (0.65) L3MBTL1ATMTDP1PBRM1CYP19A1

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
US-4347373-A Derivatives of 4-methyl-5-[(2-aminoethyl)-thiomethyl]-imidazole TURCONI FRANCO 1982-08-31 US disclosed
EP-0036684-A1 Derivatives of 4-methyl-5-(2-aminoethyl)-thiomethyl-imidazole having therapeutic activity Turconi, Franco (IT) 1981-09-30 EP disclosed