SCHEMBL5593471

SCHEMBL5593471

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
TSHR P16473 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 3/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 2/20 0.34
EGLN2 Q96KS0 2/20 0.34
GAA P10253 3/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GFER P55789 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL5593373 0.89 TSHR (0.40) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL5593497 0.87 MBOAT4 (0.36) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL5593386 0.86 SMN1; SMN2 (0.35) ALDH1A1TSHRKMT2AMAPK1ALOX15
SCHEMBL5593536 0.85 MBOAT4 (0.37) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL5593361 0.85 EGLN2 (0.40) ALDH1A1TSHRKMT2AMAPK1ALOX15
SCHEMBL5593210 0.84 CRHR1 (0.36) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL7831870 0.83 ALDH1A1 (0.36) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL5593127 0.82 TSHR (0.35) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL5593412 0.82 TSHR (0.35) ALDH1A1TSHRKMT2APOLBMAPK1
SCHEMBL5593049 0.82 TSHR (0.34) ALDH1A1TSHRKMT2APOLBMAPK1

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