SCHEMBL24556302

SCHEMBL24556302

CC1(C)/C(=C2/C(=O)Nc3ccc(SN)cc32)Nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ ACVR1 Q04771 2/20 0.36
▸ LRRK2 Q5S007 2/20 0.36
▸ ROS1 P08922 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CSNK1G1 Q9HCP0 1/20 0.35
▸ MAOA P21397 3/20 0.33
▸ MAOB P27338 3/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ FER P16591 1/20 0.33
▸ LTK P29376 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ SIRT5 Q9NXA8 1/20 0.31

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
SCHEMBL15453585 0.80 CA1 (0.53) PDK2PDK4PTGS2NTRK1
SCHEMBL15453587 0.80 CA1 (0.53) PDK2PDK4PTGS2NTRK1
SCHEMBL26327735 0.78 PTGS2 (0.41) PDK2PDK4ACVR1LRRK2ROS1
SCHEMBL17185515 0.72 CA1 (0.50) PTGS2NTRK1
SCHEMBL17185517 0.72 CA1 (0.50) PTGS2NTRK1
SCHEMBL14410532 0.70 PDK2 (0.55) PDK2PDK4ACVR1LRRK2MEN1
SCHEMBL8254175 0.64 PDK2 (0.60) PDK2PDK4ACVR1LRRK2ROS1
SCHEMBL14159310 0.64 PDK2 (0.46) PDK2PDK4MEN1KMT2A
SCHEMBL2589272 0.61 LRRK2 (0.57) ACVR1LRRK2ROS1CDK5MEN1
SCHEMBL2589274 0.61 LRRK2 (0.57) ACVR1LRRK2ROS1CDK5MEN1

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
EP-2880448-B1 HUMAN PAPILLOMA VIRUS AS PREDICTOR OF CANCER PROGNOSIS FOUND MEDICINE INC (US) 2022-06-29 — — EP disclosed
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