Sugi Predict

Sugi Predict / Compounds / SCHEMBL8043236

SCHEMBL8043236

SCHEMBL8043236

CN(C)CCCn1nnnc1Sc1nc(C(F)(F)F)c(C(=O)O)s1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 17/20 0.35
▸ DCUN1D1 Q96GG9 17/20 0.35
▸ HTT P42858 1/20 0.34
▸ KDM1A O60341 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL8043580 0.89 HTT (0.43) HTTALDH1A1
SCHEMBL8033927 0.86 NPSR1 (0.40) HTTALDH1A1
SCHEMBL8033964 0.84 SMN1; SMN2 (0.39) HTTALDH1A1TP53
SCHEMBL8034114 0.83 HTT (0.31) HTTALDH1A1TP53
SCHEMBL8033786 0.82 MAPT (0.39) ALDH1A1
SCHEMBL8051249 0.81 RAB9A (0.35) HTTALDH1A1
SCHEMBL8042294 0.80 ALDH1A1 (0.38) HTTALDH1A1
SCHEMBL8043035 0.77 MAPT (0.33) ALDH1A1
SCHEMBL8042593 0.77 ALDH1A1 (0.47) HTTALDH1A1
SCHEMBL8033860 0.77 DCUN1D1 (0.36) UBE2MDCUN1D1KDM1A

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 — — US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 — — WO disclosed