SCHEMBL18173899

SCHEMBL18173899

CSc1ncnc(C(C)F)n1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.31
HTT P42858 2/20 0.31
RAB9A P51151 2/20 0.31
XBP1 P17861 1/20 0.31
PAX8 Q06710 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
PTBP1 P26599 1/20 0.30
CYP2C19 P33261 1/20 0.30
TNFSF10 P50591 1/20 0.30

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
SCHEMBL27451881 0.83 NPC1 (0.33) NPC1HTTRAB9AXBP1PAX8
SCHEMBL11359705 0.80 NPC1 (0.31) NPC1HTTRAB9AXBP1PAX8
SCHEMBL6511999 0.75 KMT2A (0.38) NPC1HTTRAB9ALMNA
SCHEMBL5864459 0.68 HSP90AB1 (0.50) NPC1HTTRAB9AXBP1PAX8
SCHEMBL20482065 0.67
SCHEMBL9021224 0.67 SMN1; SMN2 (0.43) HTTLMNACYP1A2CYP2C19
SCHEMBL9019891 0.67 MAPK1 (0.30)
SCHEMBL30885588 0.67 SMN1; SMN2 (0.43) HTTLMNACYP1A2CYP2C19
SCHEMBL3193562 0.66
SCHEMBL762991 0.66

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
EP-3286170-A1 PHENOXY- OR PYRIDIN-2-YLOXY-AMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2018-02-28 EP disclosed
WO-2016169831-A1 PHENOXY- OR PYRIDIN-2-YLOXY-AMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2016-10-27 WO disclosed