SCHEMBL8070478

SCHEMBL8070478

CCC(COc1ccccc1)Nc1nc(N)nc(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HTR7 P34969 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOA P21397 1/20 0.36
PTGS1 P23219 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL8084534 0.86 ALDH1A1 (0.50) HTR7ALDH1A1KDM4EMAOAPTGS1
SCHEMBL6982625 0.84 TSHR (0.41) TSHRHTR7LMNAMAPTNPC1
SCHEMBL7946808 0.81 HTR7 (0.45) HTR7ADRA1DADRA1AADRA1BLMNA
SCHEMBL7113219 0.76 LMNA (0.38) LMNAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL8256396 0.74 HTR7 (0.58) TSHRHTR7ADRA1DADRA1AADRA1B
SCHEMBL7731144 0.72 CCNE2 (0.56) TSHRHTR7ADRA1DADRA1AADRA1B
SCHEMBL3433353 0.72 HTR7 (0.41) TSHRHTR7ADRA1DADRA1AADRA1B
SCHEMBL7126204 0.72 HTR7 (0.50) HTR7ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6726288 0.72 HTR7 (0.39) TSHRHTR7ADRA1DADRA1AADRA1B
SCHEMBL6730951 0.72 HTR7 (0.39) TSHRHTR7ADRA1DADRA1AADRA1B

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-1034168-A1 SUBSTITUTED ARYLOXY ALKYL AMINO TRIAZINES Bayer Aktiengesellschaft (DE) 2000-09-13 EP disclosed
WO-1999021841-A1 SUBSTITUTED ARYLOXY ALKYL AMINO TRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 1999-05-06 WO disclosed