SCHEMBL9364176

SCHEMBL9364176

O=C(CCc1ccc(F)cc1)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
PLOD2 O00469 2/20 0.51
HDAC1 Q13547 1/20 0.50
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50
PLOD3 O60568 1/20 0.50
PLOD1 Q02809 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
FFAR1 O14842 1/20 0.49
TBXAS1 P24557 3/20 0.49
GAA P10253 1/20 0.48
PTGS2 P35354 1/20 0.48
EPHX2 P34913 1/20 0.47

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
SCHEMBL3247901 0.86 PLOD2 (0.65) KMT2APLOD2HDAC1HDAC8FFAR1
SCHEMBL30965433 0.86 PLOD2 (0.65) KMT2APLOD2HDAC1HDAC8FFAR1
SCHEMBL2662937 0.84 GAA (0.57) KMT2AATMPLOD2PLOD3PLOD1
Bromide SCHEMBL11271481 0.83 GAA (0.56) KMT2AATMPLOD2PLOD3PLOD1
SCHEMBL10656017 0.83 SLC5A1 (0.50) SLC5A1SLC5A2FFAR1
SCHEMBL31407154 0.81 L3MBTL1 (0.55) KMT2APLOD2SLC5A1SLC5A2PLOD3
SCHEMBL659281 0.80 NPC1 (0.59) KMT2ASLC5A1SLC5A2FFAR1GAA
SCHEMBL9311536 0.80 ALDH1A1 (0.63) KMT2APLOD2HDAC1HDAC8
SCHEMBL7075878 0.80 PLOD2 (0.69) KMT2APLOD2HDAC1PLOD3PLOD1
SCHEMBL15395592 0.80 PLOD2 (0.75) KMT2AATMPLOD2HDAC1PLOD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442339-B1 3-Substituted pyridine methanols and fungicides containing them BASF AG (DE) 1994-06-15 EP disclosed
US-5174997-A Fungicides tolerated by plants BASF AKTIENGESELLSCHAFT (DE) 1992-12-29 US disclosed
EP-0442339-A2 3-Substituted pyridine methanols and fungicides containing them BASF Aktiengesellschaft (DE) 1991-08-21 EP disclosed