SCHEMBL23929818

SCHEMBL23929818

COC(C)(Nc1ccccc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
KCNN4 O15554 1/20 0.39
TSHR P16473 2/20 0.38
NAPRT Q6XQN6 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GFER P55789 1/20 0.38
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 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
SCHEMBL3076892 0.77 MAPT (0.50) MAPTKMT2AHSP90AA1GPR55TSHR
SCHEMBL6642017 0.73 MAPT (0.55) MAPTKMT2AKCNN4NAPRTHSD17B10
SCHEMBL9756879 0.72 MAPT (0.59) MAPTHSP90AA1GPR55KCNN4TSHR
SCHEMBL28531503 0.72 MAPT (0.59) MAPTHSP90AA1GPR55KCNN4TSHR
SCHEMBL5586031 0.71 PDK1 (0.45) MAPTKMT2AHSP90AA1GPR55KCNN4
SCHEMBL21467646 0.71 MAPT (0.46) MAPTHSP90AA1GPR55KCNN4TSHR
SCHEMBL28229440 0.70 MAPT (0.57) MAPTHSP90AA1GPR55KCNN4TSHR
SCHEMBL1339748 0.69 NAPRT (0.43) MAPTKMT2AHSP90AA1GPR55TSHR
SCHEMBL11258986 0.69 MAPT (0.41) MAPTKMT2ATSHRNAPRTHSD17B10
SCHEMBL11674465 0.69 CYP2D6 (0.43) MAPTKMT2ANAPRTHSD17B10RAB9A

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
EP-4139286-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION Bayer Aktiengesellschaft (DE) 2023-03-01 EP claimed
WO-2021214019-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2021-10-28 WO claimed