SCHEMBL7939140

SCHEMBL7939140

CC(=O)Nc1ccc(NC(=O)NSc2cc(Cl)c(O)c(Cl)c2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
LMNA P02545 4/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.40
BRD4 O60885 1/20 0.40
NR1I2 O75469 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MB P02144 1/20 0.40
CYP1A1 P04798 1/20 0.40
CA3 P07451 1/20 0.40
CYP3A4 P08684 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
SCHEMBL7945326 0.82 KMT2A (0.41) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL7939128 0.81 LMNA (0.52) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL7939052 0.80 ALDH1A1 (0.49) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL7947441 0.79 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL6814332 0.72 ALDH1A1 (0.56) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL7945458 0.71 MAPT (0.48) KMT2AMEN1SMN1; SMN2LMNANPC1
SCHEMBL8030141 0.69 ALDH1A1 (0.41) KMT2AMEN1LMNAPOLBNPC1
SCHEMBL13941263 0.67 TSHR (0.58) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL7113343 0.66 KMT2A (0.52) KMT2AMEN1SMN1; SMN2LMNANPC1
SCHEMBL8027473 0.66 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed