SCHEMBL6950423

SCHEMBL6950423

Cc1c(C(=O)CCn2ccnc2)sc2ccc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.56
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
CXCR2 P25025 1/20 0.42
ROCK1 Q13464 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6955656 0.87 TBXAS1 (0.56) TBXAS1PKMSMN1; SMN2TP53MAPK1
SCHEMBL1509582 0.84 TBXAS1 (0.53) TBXAS1PKMSMN1; SMN2KMT2A
SCHEMBL6958000 0.77 MAPT (0.48) CXCR2ROCK1MAPT
SCHEMBL6953884 0.76 ADRA2C (0.45) TBXAS1ROCK1
SCHEMBL14027515 0.75 TBXAS1 (0.54) TBXAS1
SCHEMBL5845473 0.74 MAPT (0.50) MAPK1CXCR2ROCK1MAPT
SCHEMBL7981541 0.74 MAPT (0.45) CXCR2ROCK1MAPT
SCHEMBL3318210 0.73 MAPT (0.49) KMT2ACXCR2ROCK1MAPT
SCHEMBL10785065 0.73 MAPT (0.58) TBXAS1SMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL7970723 0.72 ACHE (0.51) KMT2A

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