SCHEMBL9865353

SCHEMBL9865353

COCc1cc(C)nc2nc(S)nn12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.39
HTR6 P50406 2/20 0.39
ALDH1A1 P00352 5/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 5/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
GAA P10253 2/20 0.33
TSHR P16473 1/20 0.33
PDE2A O00408 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
SCHEMBL9821984 0.76 GAA (0.33) HTR6ALDH1A1HTTHPGDTP53
SCHEMBL9866533 0.75 TDP1 (0.41) RECQLHTR6ALDH1A1HTTKDM4E
SCHEMBL3898679 0.74 RECQL (0.43) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL2488614 0.74 RECQL (0.61) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL9821928 0.72 RECQL (0.50) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL6262968 0.71 RECQL (0.41) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL9822076 0.68 DHODH (0.36) ALDH1A1KMT2A
SCHEMBL9534983 0.66 KDM4E (0.68) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL9822209 0.66 RECQL (0.50) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL9822314 0.66 RECQL (0.50) RECQLALDH1A1HTTKDM4ECYP1A2

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
US-5013351-A Triazolo-pyrimidine-2-sulphonamides useful as herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-05-07 US disclosed