SCHEMBL6813828

SCHEMBL6813828

Nc1cc(F)cc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
KCNK3 O14649 3/20 0.56
HPGD P15428 1/20 0.55
KCNK9 Q9NPC2 2/20 0.54
POLB P06746 2/20 0.54
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
PTPN1 P18031 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PLAU P00749 1/20 0.49
ALOX5 P09917 1/20 0.49
SIRT1 Q96EB6 1/20 0.49

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
SCHEMBL2295729 0.88 MEN1 (0.66) MEN1KMT2ANPC1RAB9AKCNK3
SCHEMBL17993344 0.88 HDAC2 (0.61) MEN1KMT2AKCNK3KCNK9POLB
SCHEMBL14407440 0.88 PTPN1 (0.58) MEN1KMT2AKCNK3KCNK9POLB
SCHEMBL677476 0.81 MEN1 (0.67) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL22387581 0.80 LMNA (0.67) NPC1RAB9AKCNK3HDAC3
SCHEMBL13065988 0.79 PTPN1 (0.66) MEN1KMT2APOLBHDAC3HDAC1
SCHEMBL12540695 0.79 MEN1 (0.67) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2911616 0.78 HDAC2 (0.71) MEN1KMT2ANPC1RAB9AKCNK3
SCHEMBL30643220 0.78 MEN1 (0.88) MEN1KMT2ANPC1RAB9AKCNK3
SCHEMBL1352405 0.78 PTGS1 (0.68) MEN1KMT2ANPC1RAB9AKCNK3

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
EP-1042276-B1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER LAMBERT CO (US) 2004-11-17 EP disclosed