SCHEMBL30391640

SCHEMBL30391640

COC(=O)c1cnc(SC)nc1CBr

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ FOS P01100 1/20 0.43
▸ JUN P05412 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SYK P43405 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ THRB P10828 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
SCHEMBL24096047 1.00 POLB (0.48) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL26930705 0.89 POLB (0.58) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL2222366 0.85 MEN1 (0.60) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL22056715 0.81 ALDH1A1 (0.46) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL5824244 0.80 ALDH1A1 (0.47) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL19100943 0.80 ALDH1A1 (0.51) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL2221978 0.80 AHR (0.55) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL5211841 0.78 MEN1 (0.47) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL3518634 0.78 ALDH1A1 (0.46) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL7563419 0.78 SMN1; SMN2 (0.49) ALDH1A1MAPTLMNANFKB1NFKB2

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-4161928-A2 AMINO-PYRIMIDINE CYCLO-AMIDES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
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