SCHEMBL2437985

SCHEMBL2437985

Fc1ccccc1-c1[c]cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.38
GPR3 P46089 1/20 0.36
KCNN4 O15554 1/20 0.35
NOTUM Q6P988 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
TRPA1 O75762 2/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
PDK2 Q15119 1/20 0.33
SCN9A Q15858 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
AR P10275 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3636361 0.87 HSD11B1 (0.42) HSD11B1NOTUMTRPA1PDK2SCN9A
SCHEMBL2049471 0.86 HSD11B1 (0.46) HSD11B1GPR3KCNN4NOTUMTRPA1
SCHEMBL2052765 0.81 CHRM5 (0.35) HSD11B1GPR3SLC22A12TRPA1PDK2
SCHEMBL2053791 0.81 HSD11B1 (0.35) HSD11B1TRPA1AKR1C3AKR1C2PDK2
SCHEMBL8124402 0.81 HSD11B1 (0.41) HSD11B1NOTUMTRPA1AR
SCHEMBL434023 0.81 NOTUM (0.35) NOTUMALDH1A1L3MBTL1
SCHEMBL2049474 0.80 TRPA1 (0.36) HSD11B1KCNN4SLC22A12TRPA1PDK2
SCHEMBL17514962 0.79 HSD11B1 (0.48) HSD11B1TRPA1AKR1C3AKR1C2PDK2
SCHEMBL12816458 0.79 NOTUM (0.34) NOTUMALDH1A1L3MBTL1
SCHEMBL12817256 0.78 HSD11B1 (0.41) HSD11B1NOTUMTRPA1SCN9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0059291-B1 ANTIHYPERTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1985-03-27 EP claimed
WO-2013182433-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-12-12 WO disclosed
EP-2547687-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-01-23 EP disclosed
EP-2513067-A1 METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF BASF SE (DE) 2012-10-24 EP disclosed
WO-2011113820-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2011-09-22 WO disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed