SCHEMBL6964137

SCHEMBL6964137

C(=C/c1cc2ccccc2s1)\Cn1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
NAMPT P43490 1/20 0.46
TBXAS1 P24557 3/20 0.44
CYP2A6 P11509 1/20 0.43
CYP19A1 P11511 3/20 0.43
IDO1 P14902 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 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
SCHEMBL6964147 1.00 CYP11B1 (0.49) CYP11B1CYP11B2NAMPTTBXAS1CYP2A6
SCHEMBL6964350 0.83 CYP19A1 (0.46) CYP11B1CYP11B2TBXAS1CYP19A1
SCHEMBL6964341 0.83 CYP19A1 (0.46) CYP11B1CYP11B2TBXAS1CYP19A1
SCHEMBL6959242 0.83 CYP19A1 (0.43) CYP11B1CYP11B2TBXAS1CYP2A6CYP19A1
SCHEMBL6959237 0.83 CYP19A1 (0.43) CYP11B1CYP11B2TBXAS1CYP2A6CYP19A1
SCHEMBL6954397 0.75 TBXAS1 (0.56) CYP11B1CYP11B2TBXAS1CYP19A1QPCT
SCHEMBL6954390 0.75 TBXAS1 (0.56) CYP11B1CYP11B2TBXAS1CYP19A1QPCT
SCHEMBL11393094 0.74 TBXAS1 (0.49) CYP11B1CYP11B2TBXAS1CYP19A1POLB
SCHEMBL8347428 0.73 TBXAS1 (0.68) CYP11B1CYP11B2TBXAS1CYP19A1QPCT
SCHEMBL8347430 0.73 TBXAS1 (0.68) CYP11B1CYP11B2TBXAS1CYP19A1QPCT

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 3 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 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