SCHEMBL6954397

SCHEMBL6954397

C(=Cc1ccc2ccccc2c1)Cn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.56
CYP19A1 P11511 5/20 0.55
POLB P06746 3/20 0.48
CYP24A1 Q07973 2/20 0.47
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
RELA Q04206 1/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
QPCT Q16769 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
SOD1 P00441 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL6954390 1.00 TBXAS1 (0.56) TBXAS1CYP19A1POLBCYP24A1CYP11B1
SCHEMBL6955623 0.86 CYP19A1 (0.52) TBXAS1CYP19A1POLBCYP24A1CYP11B1
SCHEMBL6955615 0.86 CYP19A1 (0.52) TBXAS1CYP19A1POLBCYP24A1CYP11B1
SCHEMBL6963677 0.85 CYP19A1 (0.60) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL6963682 0.85 CYP19A1 (0.60) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL8347428 0.82 TBXAS1 (0.68) TBXAS1CYP19A1POLBCYP24A1CYP11B1
SCHEMBL8347430 0.82 TBXAS1 (0.68) TBXAS1CYP19A1POLBCYP24A1CYP11B1
Hydrochloric Acid SCHEMBL28253387 0.80 TBXAS1 (0.69) TBXAS1CYP19A1POLBCYP24A1CYP11B1
SCHEMBL11156491 0.79 TBXAS1 (0.61) TBXAS1CYP19A1POLBCYP11B1CYP11B2
SCHEMBL6959069 0.79 LMNA (0.45) TBXAS1CYP19A1POLBRELACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP claimed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US claimed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP claimed
JP-10291981-A None JP disclosed
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed
JP-H10291981-A CONDENSED RING COMPOUND, ITS PRODUCTION AND USE TAKEDA CHEM IND LTD 1998-11-04 JP disclosed