SCHEMBL25430779

SCHEMBL25430779

CCOC(=O)Cc1nc(C)sc1Br

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL13799644 0.83 SMN1; SMN2 (0.44) SMN1; SMN2POLBMEN1KMT2ATRPM8
SCHEMBL27760073 0.79 ALDH1A1 (0.51) SMN1; SMN2POLBMEN1KMT2ALMNA
SCHEMBL14215510 0.79 PTGDR2 (0.43) POLBMEN1KMT2ALMNAMAPT
SCHEMBL2719635 0.79 NPC1 (0.49) SMN1; SMN2KMT2ATRPM8LMNATSHR
SCHEMBL25429739 0.78 SMN1; SMN2 (0.43) SMN1; SMN2POLBMEN1KMT2ATRPM8
SCHEMBL15820523 0.75 SMN1; SMN2 (0.41) SMN1; SMN2POLBMEN1KMT2ATRPM8
SCHEMBL30740576 0.74 ALDH1A1 (0.47) SMN1; SMN2KMT2ATRPM8LMNATSHR
SCHEMBL13325292 0.74 TRPM8 (0.39) SMN1; SMN2POLBMEN1KMT2ATRPM8
SCHEMBL3313992 0.72 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL1267026 0.72 TRPM8 (0.48) SMN1; SMN2POLBMEN1KMT2ATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO disclosed