SCHEMBL8874284

SCHEMBL8874284

CNc1nc(OC)cc(OC(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CHRNA7 P36544 1/20 0.40
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PIM1 P11309 1/20 0.33
BLM P54132 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL7932080 0.92 CHRNA7 (0.38) CYP1A2CHRNA7LMNAALDH1A1KDM4E
SCHEMBL1576738 0.86 CYP1A2 (0.55) CYP1A2LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7805860 0.86 CYP1A2 (0.42) CYP1A2CHRNA7LMNASMN1; SMN2ALDH1A1
SCHEMBL7937932 0.81 CHRNA7 (0.35) CHRNA7ALDH1A1MAPTKMT2AIDH2
SCHEMBL8874390 0.81 GPR39 (0.37) CHRNA7ALDH1A1KDM4EMAPTBLM
SCHEMBL8874210 0.81 SMN1; SMN2 (0.39) CHRNA7LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7934015 0.80 PGK1 (0.35) CYP1A2CHRNA7LMNAALDH1A1KDM4E
SCHEMBL7925318 0.80 HPGD (0.45) CYP1A2CHRNA7LMNAALDH1A1KDM4E
SCHEMBL7804008 0.79 NPC1 (0.46) CYP1A2CHRNA7LMNASMN1; SMN2ALDH1A1
SCHEMBL10699603 0.78 L3MBTL1 (0.51) CYP1A2LMNASMN1; SMN2ALDH1A1KDM4E

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
US-5591694-A COMPOUND USED TO CONTROL UNDESIRABLE PLANT GROWTH BASF AKTIENGESELLSCHAFT (DE) 1997-01-07 US disclosed
EP-0446743-B1 Herbicidal sulfonylureas, process for their preparation and intermediates BASF AG (DE) 1995-08-02 EP disclosed
EP-0600967-B1 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME BASF AG (DE) 1995-04-19 EP disclosed
EP-0600967-A1 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME. BASF AG (DE) 1994-06-15 EP disclosed
US-5276007-A Herbicidal sulfonylureas BASF AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
WO-1993005048-A2 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 1993-03-18 WO disclosed
EP-0446743-A2 Herbicidal sulfonylureas, process for their preparation and intermediates BASF Aktiengesellschaft (DE) 1991-09-18 EP disclosed