SCHEMBL7737843

SCHEMBL7737843

C[C@H](NC(=S)Nc1ccc(NC(=O)c2csnn2)cc1)c1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
TP53 P04637 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HPGD P15428 2/20 0.63
NPC1 O15118 1/20 0.63
POLB P06746 1/20 0.63
RAB9A P51151 1/20 0.63
LMNA P02545 3/20 0.54
MAPT P10636 8/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MMP2 P08253 1/20 0.45
CNR1 P21554 2/20 0.44
THRB P10828 2/20 0.44

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
SCHEMBL6811404 1.00 ALDH1A1 (0.63) ALDH1A1TP53SMN1; SMN2HPGDNPC1
SCHEMBL7743353 1.00 ALDH1A1 (0.63) ALDH1A1TP53SMN1; SMN2HPGDNPC1
SCHEMBL7737850 0.90 ALDH1A1 (0.68) ALDH1A1TP53SMN1; SMN2HPGDNPC1
SCHEMBL7743319 0.90 ALDH1A1 (0.68) ALDH1A1TP53SMN1; SMN2HPGDNPC1
SCHEMBL6815539 0.90 ALDH1A1 (0.64) ALDH1A1TP53SMN1; SMN2HPGDNPC1
SCHEMBL7162957 0.89 ALDH1A1 (0.63) ALDH1A1TP53SMN1; SMN2HPGDNPC1
SCHEMBL7737841 0.86 ALDH1A1 (0.60) ALDH1A1TP53SMN1; SMN2HPGDNPC1
SCHEMBL6815493 0.86 LMNA (0.63) ALDH1A1TP53SMN1; SMN2HPGDNPC1
SCHEMBL7745937 0.81 MAPT (0.61) ALDH1A1TP53SMN1; SMN2HPGDNPC1
SCHEMBL7744016 0.81 MAPT (0.61) ALDH1A1TP53SMN1; SMN2HPGDNPC1

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