SCHEMBL5593451

SCHEMBL5593451

Cc1cc(F)c(-c2c(C)nc3ncnn3c2NCC(F)(F)F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.42
TSHR P16473 3/20 0.40
MAPK1 P28482 3/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.37
ENPP1 P22413 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
EGLN2 Q96KS0 1/20 0.35

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
SCHEMBL5593223 0.90 TSHR (0.38) MBOAT4TSHRMAPK1ALOX15HTT
SCHEMBL5593536 0.89 MBOAT4 (0.37) MBOAT4TSHRMAPK1ALOX15HTT
SCHEMBL5593248 0.88 MBOAT4 (0.36) MBOAT4TSHRMAPK1ALOX15HTT
SCHEMBL5593091 0.88 CYP1A2 (0.43) MBOAT4TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL5593229 0.87 MBOAT4 (0.41) MBOAT4TSHRMAPK1ALOX15HTT
SCHEMBL5593373 0.85 TSHR (0.40) TSHRMAPK1ALOX15HTTSMN1; SMN2
SCHEMBL975025 0.83 MBOAT4 (0.44) MBOAT4TSHRMAPK1ALOX15HTT
SCHEMBL5593155 0.82 MAPK1 (0.39) TSHRMAPK1ALOX15HTTSMN1; SMN2
SCHEMBL5593049 0.80 TSHR (0.34) MBOAT4TSHRMAPK1ALOX15HTT
SCHEMBL5593490 0.80 MAPK1 (0.39) TSHRMAPK1ALOX15HTTSMN1; SMN2

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