SCHEMBL7945406

SCHEMBL7945406

CSc1ccc(SNC(=O)Nc2ccc(NC(=O)c3ccccc3C)cc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 1/20 0.47
GRM4 Q14833 1/20 0.43
PNLIP P16233 1/20 0.43
TYK2 P29597 1/20 0.43
FFAR1 O14842 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6814300 0.80 DHODH (0.56) DHODHNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7938910 0.78 KMT2A (0.47) NPC1RAB9ASMN1; SMN2HPGDGRM4
SCHEMBL7948458 0.77 KMT2A (0.63) NPC1RAB9ASMN1; SMN2HPGDGRM4
SCHEMBL6814307 0.75 DHODH (0.50) DHODHNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7947411 0.75 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL2119568 0.70 HPGD (0.74) DHODHNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL19501494 0.70 HPGD (0.86) NPC1RAB9ASMN1; SMN2HPGDTYK2
SCHEMBL4255638 0.70 DHODH (0.73) DHODHNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL19799127 0.70 DHODH (0.68) DHODHNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6814905 0.68 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDGRM4

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