SCHEMBL21077939

SCHEMBL21077939

CCCCC1(C)CN(C(=O)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.49
HPGD P15428 4/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ACHE P22303 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
MAPT P10636 1/20 0.43
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL16116721 0.77 HPGD (0.55) BLMHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL15617689 0.75 HPGD (0.53) BLMHPGDALDH1A1SMN1; SMN2ACHE
SCHEMBL11713669 0.72 SIGMAR1 (0.51) BLMHPGDALDH1A1KMT2AMEN1
SCHEMBL9928306 0.72 BLM (0.59) BLMHPGDALDH1A1ACHESIGMAR1
SCHEMBL20970963 0.72 CHRM2 (0.58) BLMHPGDALDH1A1SMN1; SMN2
SCHEMBL10722663 0.71 DRD2 (0.69) BLMALDH1A1KMT2AMEN1HRH2
SCHEMBL13596968 0.71 NAMPT (0.57) BLMHPGDALDH1A1ACHE
SCHEMBL8164455 0.71 TSHR (0.53) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL30634133 0.70 HPGD (0.56) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL16980657 0.70 SIGMAR1 (0.72) BLMALDH1A1KMT2AMEN1HRH2

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed