SCHEMBL19979969

SCHEMBL19979969

Cc1cc(C)n(-c2nc(C(F)(F)F)ccc2C(=O)N/C(=N/N)N(C)N)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 4/20 0.37
SCN10A Q9Y5Y9 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HTT P42858 3/20 0.34
TP53 P04637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 1/20 0.34
NTSR1 P30989 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
ADORA2A P29274 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33

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
SCHEMBL19979964 0.78 SCN10A (0.36) LMNASCN10ATP53
SCHEMBL19980138 0.78 TRPV1 (0.39) LMNASCN10AALDH1A1TP53MAPT
SCHEMBL19980223 0.78 ALDH1A1 (0.36) SMN1; SMN2LMNASCN10AALDH1A1MAPK1
SCHEMBL19979960 0.77 TUBB4A (0.38) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19979876 0.77 TUBB4A (0.35) SCN10ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19979928 0.72 POLB (0.43) LMNASCN10AABCB1ABCG2ALDH1A1
SCHEMBL22918688 0.66 CTSS (0.35) SMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL19979956 0.66 ALDH1A1 (0.33) SMN1; SMN2SCN10AALDH1A1KMT2ATUBB4A
SCHEMBL19979861 0.62 KMT2A (0.32) ALDH1A1KMT2A
SCHEMBL19979908 0.61

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
WO-2018050677-A1 HERBICIDAL PYRIDINES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed