SCHEMBL8692137

SCHEMBL8692137

CCOC(=O)Nc1ccc(Cl)c2nc(N3CCCCC3)sc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 4/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 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
SCHEMBL8693243 0.81 RAB9A (0.52) MAPTRAB9ANPC1CASP3SENP8
SCHEMBL8689063 0.77 ALDH1A1 (0.45) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL8690740 0.69 ALDH1A1 (0.75) MAPTRAB9ANPC1CASP3SENP8
SCHEMBL9051602 0.67 NPSR1 (0.63) MAPTALDH1A1TSHRLMNAGAA
SCHEMBL8691344 0.67 ALDH1A1 (0.66) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL12732483 0.66 CYP1A2 (0.60) MAPTRAB9ANPC1CASP3SENP8
SCHEMBL8823068 0.65 CDC7 (0.59) MAPTRAB9ANPC1CASP3SENP8
SCHEMBL19700180 0.65 CYP1A2 (0.47) MAPTRAB9ANPC1CASP3SENP8
SCHEMBL10941925 0.64 ALDH1A1 (0.48) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL8688479 0.64 ALDH1A1 (0.45) MAPTALDH1A1HPGDTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753595-A Herbicidal 3-(substituted benzoxazol-7-yl) and 3-(Substituted benzothiazol-7-yl)-1-substituted-6-trifluoromethyl-2 4-(1h 3h)pyrimidinediones FMC CORPORATION (US) 1998-05-19 US disclosed
WO-1997008170-A1 HERBICIDAL 3-(SUBSTITUTED BENZOXAZOL-7-YL) AND 3-(SUBSTITUTED BENZOTHIAZOL-7-YL)-1-SUBSTITUTED-6-TRIFLUOROMETHYL-2,4-(1H,3H)PYRIMIDINEDIONES FMC CORPORATION (US) 1997-03-06 WO disclosed