SCHEMBL9065692

SCHEMBL9065692

CN(C(N)=O)c1nc2ccccc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.73
TSHR P16473 1/20 0.73
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
LMNA P02545 1/20 0.68
TP53 P04637 1/20 0.68
CASP3 P42574 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
SENP8 Q96LD8 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
ALDH1A1 P00352 5/20 0.58
ALOX5 P09917 2/20 0.54
USP30 Q70CQ3 2/20 0.48
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
ADORA1 P30542 1/20 0.46
DYRK1A Q13627 1/20 0.46
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL2939270 0.85 NPC1 (0.75) ALOX15TSHRNPC1RAB9ALMNA
SCHEMBL11856748 0.84 NPC1 (0.68) ALOX15TSHRNPC1RAB9ALMNA
SCHEMBL25938097 0.83 NPC1 (0.63) ALOX15TSHRNPC1RAB9ALMNA
Methabenzthiazuron SCHEMBL7109380 0.82 ALOX15 (0.66) ALOX15TSHRNPC1RAB9ALMNA
Methabenzthiazuron SCHEMBL19893745 0.82 ALOX15 (0.66) ALOX15TSHRNPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL25332919 0.82 NPC1 (0.62) ALOX15TSHRNPC1RAB9ALMNA
SCHEMBL12351738 0.81 RAB9A (1.00) ALOX15TSHRNPC1RAB9ALMNA
Methabenzthiazuron SCHEMBL29549492 0.81 ALOX15 (0.69) ALOX15TSHRNPC1RAB9ALMNA
Methabenzthiazuron SCHEMBL8537244 0.81 ALOX15 (0.69) ALOX15TSHRNPC1RAB9ALMNA
Methabenzthiazuron SCHEMBL66434 0.81 ALOX15 (0.69) ALOX15TSHRNPC1RAB9ALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996015667-A2 ANTIDOTE COMPOSITION AND METHOD FOR USE OF THE COMPOSITION Nitrokémia Rt. (HU) 1996-05-30 WO claimed
EP-3102203-A2 ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN SPERO GYRASE, INC. (US) 2016-12-14 EP disclosed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 WO disclosed
WO-1996015667-A2 ANTIDOTE COMPOSITION AND METHOD FOR USE OF THE COMPOSITION Nitrokémia Rt. (HU) 1996-05-30 WO disclosed
CN-1070641-A Quinoxalinyl oxygen ether with the mutual resistance weeding of relevant application DU PONT (US) 1993-04-07 CN disclosed
CN-1064077-A Bicyclic ethers with weeding activity DU PONT (US) 1992-09-02 CN disclosed