SCHEMBL7938992

SCHEMBL7938992

NC(=O)c1ccc(N(S)C(=O)Nc2ccccc2Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
CXCR1 P25024 2/20 0.40
CXCR2 P25025 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PARP10 Q53GL7 2/20 0.39
MAPK1 P28482 1/20 0.39
EGFR P00533 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7950460 0.84 HDAC1 (0.46) NPC1RAB9AMAPK1
SCHEMBL7666786 0.83 RAB9A (0.46) KMT2AHTTNPC1RAB9AMEN1
SCHEMBL6819653 0.83 KDM4E (0.48) L3MBTL1KMT2ANPC1RAB9AMEN1
SCHEMBL7945599 0.80 RAB9A (0.61) L3MBTL1KMT2AHTTNPC1RAB9A
SCHEMBL7939137 0.80 GAA (0.45) L3MBTL1KMT2AHTTNPC1RAB9A
SCHEMBL6815733 0.80 PLAU (0.48) L3MBTL1KMT2ANPC1RAB9AMEN1
SCHEMBL6815400 0.78 LMNA (0.49) L3MBTL1KMT2ANPC1RAB9AMEN1
SCHEMBL6819683 0.77 SMN1; SMN2 (0.47) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL7945400 0.77 SMN1; SMN2 (0.41) L3MBTL1KMT2ANPC1RAB9AMEN1
SCHEMBL25223941 0.77 NPC1 (0.56) L3MBTL1KMT2AHTTNPC1RAB9A

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