SCHEMBL19625142

SCHEMBL19625142

CC(=O)N(N)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 1/20 0.50
LIN28A Q9H9Z2 1/20 0.50
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.49
KCNA5 P22460 1/20 0.46
LMNA P02545 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
PTPRA P18433 1/20 0.44
HRH1 P35367 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL2187238 0.82 L3MBTL1 (0.55) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL18773876 0.81 TRPM8 (0.46) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL427048 0.81 SMN1; SMN2 (0.52) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL14004817 0.80 FNTA (0.53) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL17468873 0.79 SMN1; SMN2 (0.41) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL7326927 0.79 CYP1A2 (0.45) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL27549223 0.79 TRPM8 (0.44) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL9529185 0.78 PTPRA (0.50) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL6170953 0.78 TRPM8 (0.59) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL21994253 0.77 MAPT (0.52) SMN1; SMN2TDP1MAPTLIN28ACYP1A2

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-2838519-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS UNIV COLLEGE DUBLIN NAT UNIV OF IRELAND DUBLIN (IE) 2017-11-22 EP disclosed