SCHEMBL9006000

SCHEMBL9006000

CCCCCn1ccnc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.57
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.42
TBXAS1 P24557 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 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
SCHEMBL31252039 0.91 TLR8 (0.43) TLR8ALDH1A1KMT2APOLBLMNA
SCHEMBL28173216 0.81 KMT2A (0.38) TLR8ALDH1A1KMT2APOLBLMNA
SCHEMBL10730218 0.78 TLR8 (0.51) TLR8ALDH1A1KMT2APOLBLMNA
SCHEMBL10730692 0.78 TLR8 (0.51) TLR8ALDH1A1KMT2APOLBLMNA
SCHEMBL26196835 0.77 KDR (0.32) TLR8ALDH1A1KMT2APOLBTSHR
SCHEMBL4564156 0.76 TLR8 (0.53) TLR8ALDH1A1KMT2APOLBLMNA
SCHEMBL3742677 0.74 ALDH1A1 (0.89) TLR8ALDH1A1KMT2APOLBHTT
SCHEMBL10738786 0.73 ALDH1A1 (0.53) TLR8ALDH1A1KMT2APOLBLMNA
SCHEMBL15810013 0.73 CA12 (0.33) TLR8ALDH1A1KMT2APOLBTSHR
SCHEMBL25240227 0.73 ALDH1A1 (0.85) TLR8ALDH1A1KMT2APOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736013-A1 N-SUBSTITUTED ARYL TRIFLUOROMETHYL IMIDAZOLES BAYER AG (DE) 1996-10-09 EP claimed
WO-1995017390-A1 N-SUBSTITUTED ARYL TRIFLUOROMETHYL IMIDAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1995-06-29 WO claimed
EP-0736013-A1 N-SUBSTITUTED ARYL TRIFLUOROMETHYL IMIDAZOLES BAYER AG (DE) 1996-10-09 EP disclosed
EP-0736013-A1 N-SUBSTITUTED ARYL TRIFLUOROMETHYL IMIDAZOLES BAYER AG (DE) 1996-10-09 EP disclosed
WO-1995017390-A1 N-SUBSTITUTED ARYL TRIFLUOROMETHYL IMIDAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1995-06-29 WO disclosed
WO-1995017390-A1 N-SUBSTITUTED ARYL TRIFLUOROMETHYL IMIDAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1995-06-29 WO disclosed