SCHEMBL7743319

SCHEMBL7743319

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

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
TP53 P04637 4/20 0.68
HPGD P15428 2/20 0.68
POLB P06746 2/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
LMNA P02545 4/20 0.55
MAPT P10636 10/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
THRB P10828 1/20 0.50
CNR1 P21554 2/20 0.47
MMP2 P08253 1/20 0.45
NTSR1 P30989 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7737850 1.00 ALDH1A1 (0.68) ALDH1A1TP53HPGDPOLBNPC1
SCHEMBL6815539 0.91 ALDH1A1 (0.64) ALDH1A1TP53HPGDPOLBNPC1
SCHEMBL7743353 0.90 ALDH1A1 (0.63) ALDH1A1TP53HPGDPOLBNPC1
SCHEMBL7737843 0.90 ALDH1A1 (0.63) ALDH1A1TP53HPGDPOLBNPC1
SCHEMBL7162957 0.90 ALDH1A1 (0.63) ALDH1A1TP53HPGDPOLBNPC1
SCHEMBL6811404 0.90 ALDH1A1 (0.63) ALDH1A1TP53HPGDPOLBNPC1
SCHEMBL7737841 0.87 ALDH1A1 (0.60) ALDH1A1TP53HPGDPOLBNPC1
SCHEMBL6815363 0.86 LMNA (0.65) ALDH1A1TP53HPGDPOLBNPC1
SCHEMBL7743326 0.83 ALDH1A1 (0.54) ALDH1A1TP53HPGDPOLBNPC1
SCHEMBL7745937 0.82 MAPT (0.61) ALDH1A1TP53HPGDPOLBNPC1

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