SCHEMBL5593192

SCHEMBL5593192

Cc1cc(F)c(-c2c(C)nc3ncnn3c2N2CCCCCC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX2 Q02962 1/20 0.43
TSHR P16473 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
PDE2A O00408 2/20 0.37
EGLN2 Q96KS0 1/20 0.36
RAB9A P51151 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
SCHEMBL5593122 0.89 PAX2 (0.37) PAX2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL5593344 0.88 LMNA (0.44) PAX2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL5593160 0.88 LMNA (0.43) PAX2TSHRSMN1; SMN2KMT2ANPSR1
SCHEMBL5593273 0.87 SMN1; SMN2 (0.42) PAX2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL5593162 0.87 SMN1; SMN2 (0.40) PAX2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL5593345 0.86 EGLN2 (0.42) PAX2TSHRKMT2AMEN1ALDH1A1
SCHEMBL5593201 0.85 EGLN2 (0.41) PAX2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL5593226 0.84 PDE2A (0.39) PAX2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL976753 0.83 ALDH1A1 (0.44) PAX2TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL5593488 0.83 PDE2A (0.41) PAX2TSHRNPSR1ALDH1A1ALOX15

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 1 patent. 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 disclosed