SCHEMBL8010710

SCHEMBL8010710

CSc1nn(C)c(=O)n1-c1ccccc1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
BRD4 O60885 5/20 0.41
TSHR P16473 1/20 0.41
NR1H2 P55055 1/20 0.41
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NTRK1 P04629 5/20 0.37
NTRK2 Q16620 5/20 0.37
IGF1R P08069 4/20 0.37
FGFR1 P11362 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NTRK3 Q16288 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8011509 0.69 NR1H2 (0.42) HPGDBRD4TSHRNR1H2HTR1A
SCHEMBL8525397 0.68 SMN1; SMN2 (0.43) BRD4NR1H2SLC6A2SLC6A4SMN1; SMN2
SCHEMBL8484212 0.67 SMN1; SMN2 (0.47) BRD4TSHRSLC6A2SLC6A4NTRK1
SCHEMBL8366257 0.65 BRD4 (0.47) HPGDBRD4NTRK1NTRK2IGF1R
SCHEMBL8593864 0.64 SMN1; SMN2 (0.47) HPGDTSHRSMN1; SMN2NPC1
SCHEMBL14505650 0.63 HTT (0.53) POLBHPGDBRD4TSHRSMN1; SMN2
SCHEMBL2814012 0.63 MGLL (0.62) TSHRNR1H2HTR1ASLC6A2SLC6A4
SCHEMBL19950727 0.62 NR1H2 (0.67) POLBBRD4TSHRNR1H2HTR1A
SCHEMBL15537943 0.62 BRD4 (0.60) BRD4SMN1; SMN2RAB9A
SCHEMBL11638396 0.61 NR1H2 (0.74) TSHRNR1H2HTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022870-A 4-(HETEROCYCLE-SUBSTITUTED-PHENYL)-1,2,4-TRIAZOL-3-ONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-02-08 US disclosed
EP-0729461-B1 FUNGICIDAL CYCLIC AMIDES DU PONT (US) 1999-11-24 EP disclosed
US-5977149-A Dihydrotriazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-02 US disclosed
US-5747516-A Dihydroazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-05-05 US disclosed
WO-1995014009-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-05-26 WO disclosed