SCHEMBL25524316

SCHEMBL25524316

S=CNCCCCCn1ccnc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.63
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
QPCT Q16769 2/20 0.48

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
SCHEMBL10768414 0.83 TBXAS1 (0.62) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29004413 0.80 TBXAS1 (1.00) TBXAS1
SCHEMBL2535103 0.80 TBXAS1 (1.00) TBXAS1
SCHEMBL29004411 0.80 TBXAS1 (1.00) TBXAS1
SCHEMBL2532389 0.80 TBXAS1 (1.00) TBXAS1
SCHEMBL2533366 0.80 TBXAS1 (1.00) TBXAS1
SCHEMBL285054 0.80 TBXAS1 (1.00) TBXAS1
SCHEMBL10247600 0.80 TBXAS1 (1.00) TBXAS1
SCHEMBL939851 0.80 TBXAS1 (1.00) TBXAS1
SCHEMBL1679410 0.80 TBXAS1 (1.00) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed