SCHEMBL18537673

SCHEMBL18537673

Nc1ccc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.88
RXFP1 Q9HBX9 3/20 0.88
FOXM1 Q08050 3/20 0.88
TP53 P04637 2/20 0.88
KMT2A Q03164 9/20 0.74
MEN1 O00255 8/20 0.74
KDM4E B2RXH2 5/20 0.74
ALDH1A1 P00352 5/20 0.74
HPGD P15428 5/20 0.74
POLB P06746 5/20 0.74
CRHBP P24387 2/20 0.74
CRHR2 Q13324 2/20 0.74
HTT P42858 2/20 0.74
BLM P54132 1/20 0.74
SMN1; SMN2 Q16637 3/20 0.73
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2C19 P33261 2/20 0.73
RECQL P46063 1/20 0.73
MCL1 Q07820 1/20 0.73

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
SCHEMBL19853111 0.94 MAPT (1.00) MAPTRXFP1FOXM1TP53KMT2A
SCHEMBL19000365 0.94 MAPT (0.86) MAPTRXFP1FOXM1TP53KMT2A
SCHEMBL29558180 0.94 MAPT (1.00) MAPTRXFP1FOXM1TP53KMT2A
SCHEMBL13186381 0.94 MAPT (0.86) MAPTRXFP1FOXM1TP53KMT2A
SCHEMBL14969380 0.93 MAPT (0.85) MAPTRXFP1FOXM1TP53KMT2A
SCHEMBL432256 0.89 MAPT (0.79) MAPTRXFP1FOXM1TP53KMT2A
SCHEMBL15788394 0.89 MAPT (0.79) MAPTRXFP1FOXM1TP53KMT2A
SCHEMBL13568307 0.84 KMT2A (0.76) MAPTRXFP1FOXM1TP53KMT2A
SCHEMBL14954964 0.84 LIMK1 (0.84) MAPTRXFP1FOXM1TP53KMT2A
SCHEMBL4193459 0.84 LIMK1 (1.00) MAPTRXFP1FOXM1TP53KMT2A

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
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed