SCHEMBL7745937

SCHEMBL7745937

C[C@H](NC(=S)Nc1ccc(NC(=O)c2csnn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
ALDH1A1 P00352 5/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
TP53 P04637 4/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 2/20 0.50
THRB P10828 2/20 0.43
MMP2 P08253 1/20 0.42
KDR P35968 1/20 0.41
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL7744016 1.00 MAPT (0.61) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7075997 0.90 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7079769 0.90 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7743925 0.87 MAPT (0.58) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7744018 0.86 MAPT (0.59) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7743487 0.86 MAPT (0.56) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7979004 0.85 MAPT (0.71) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7743326 0.85 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL7743456 0.84 MAPT (0.54) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL6815539 0.84 ALDH1A1 (0.64) MAPTALDH1A1MEN1KMT2ATP53

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
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed