SCHEMBL5593386

SCHEMBL5593386

COc1nc2ncnn2c(NCC(C)C)c1-c1cc(F)c(C)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.35
TSHR P16473 5/20 0.35
HTT P42858 5/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 3/20 0.35
GALR3 O60755 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALOX15 P16050 1/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.33
RAB9A P51151 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
ENPP1 P22413 2/20 0.32
CRHR1 P34998 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL5593367 0.90 SMN1; SMN2 (0.36) SMN1; SMN2TSHRHTTLMNAALDH1A1
SCHEMBL5593373 0.88 TSHR (0.40) SMN1; SMN2TSHRHTTLMNAALDH1A1
SCHEMBL5593248 0.86 MBOAT4 (0.36) SMN1; SMN2TSHRHTTLMNAALDH1A1
SCHEMBL5593471 0.86 ALDH1A1 (0.36) SMN1; SMN2TSHRHTTLMNAALDH1A1
SCHEMBL5593494 0.85 CRHR1 (0.37) SMN1; SMN2TSHRHTTLMNAALDH1A1
SCHEMBL5593343 0.85 MAPK1 (0.35) SMN1; SMN2TSHRHTTLMNAALDH1A1
SCHEMBL5593361 0.83 EGLN2 (0.40) TSHRHTTALDH1A1MAPK1ALOX15
SCHEMBL5593399 0.83 MAPK1 (0.34) SMN1; SMN2TSHRHTTLMNAALDH1A1
SCHEMBL5593334 0.83 MAPK1 (0.34) SMN1; SMN2TSHRHTTALDH1A1MAPK1
SCHEMBL5593079 0.83 SMN1; SMN2 (0.33) SMN1; SMN2TSHRHTTLMNAALDH1A1

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
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 WO claimed
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 WO disclosed