SCHEMBL11269697

SCHEMBL11269697

COC(=O)c1c(-c2ccccc2F)n[nH]c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.56
HSP90AB1 P08238 1/20 0.56
GAA P10253 2/20 0.48
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NR4A2 P43354 1/20 0.41
AKT1 P31749 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 2/20 0.39
KDR P35968 2/20 0.39
CSNK2A1 P68400 2/20 0.39
PLK4 O00444 1/20 0.39
PDPK1 O15530 1/20 0.39
DAPK3 O43293 1/20 0.39

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
SCHEMBL10720070 0.83 LMNA (0.59) HSP90AA1HSP90AB1GAAHTTLMNA
SCHEMBL10984267 0.80 HSP90AA1 (0.62) HSP90AA1HSP90AB1GAAHTTLMNA
SCHEMBL10875241 0.76 HSP90AA1 (0.54) HSP90AA1HSP90AB1GAAHTTLMNA
SCHEMBL5773636 0.75 GPBAR1 (0.57) LMNATSHRMAPTNPC1SMN1; SMN2
SCHEMBL5065916 0.74 JAK2 (0.52) HSP90AA1LMNATSHRJAK2JAK3
SCHEMBL2857478 0.73 MAP2K4 (0.52) NPC1RAB9ASMN1; SMN2MAPK1CDK1
SCHEMBL10730613 0.72 SMN1; SMN2 (0.52) GAAHTTLMNATSHRMAPT
SCHEMBL27511626 0.72 HSP90AA1 (0.49) HSP90AA1GAALMNAMAPTSMN1; SMN2
SCHEMBL11270227 0.72 HSP90AA1 (0.56) HSP90AA1HSP90AB1GAAHTTLMNA
SCHEMBL11278143 0.72 HSP90AA1 (0.50) HSP90AA1HSP90AB1GAAHTTLMNA

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-0019760-B1 ESTERS OF 3-ARYL-5-METHYL-PYRAZOLE-4-CARBOXYLIC ACID, HERBICIDES CONTAINING THEM, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1982-06-23 EP claimed
EP-0019760-A1 Esters of 3-aryl-5-methyl-pyrazole-4-carboxylic acid, herbicides containing them, process for their preparation and their use BASF Aktiengesellschaft (DE) 1980-12-10 EP claimed