SCHEMBL7098595

SCHEMBL7098595

Cc1nc2ccc(NC(=O)Nc3ccnc4ccncc34)cc2o1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.77
HTR2B P41595 7/20 0.77
HCRTR1 O43613 3/20 0.67
MEN1 O00255 3/20 0.67
MAPT P10636 3/20 0.67
KMT2A Q03164 3/20 0.67
ALDH1A1 P00352 3/20 0.67
HCRTR2 O43614 2/20 0.67
ADORA2A P29274 2/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP2C19 P33261 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48

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
Hydrochloric Acid SCHEMBL5964636 0.99 HTR2C (0.76) HTR2CHTR2BHCRTR1MEN1MAPT
Hydrochloric Acid SCHEMBL7655785 0.86 HTR2C (0.98) HTR2CHTR2BHCRTR1MEN1MAPT
Hydrochloric Acid SCHEMBL7660393 0.84 HTR2C (0.76) HTR2CHTR2BHCRTR1MEN1MAPT
Hydrochloric Acid SCHEMBL7146484 0.83 HTR2C (0.56) HTR2CHTR2BHCRTR1MEN1MAPT
SCHEMBL29424927 0.80 MAPT (1.00) HTR2CHTR2BHCRTR1MEN1MAPT
SCHEMBL496853 0.80 MAPT (1.00) HTR2CHTR2BHCRTR1MEN1MAPT
SCHEMBL29424773 0.80 MAPT (1.00) HTR2CHTR2BHCRTR1MEN1MAPT
Hydrochloric Acid SCHEMBL226068 0.79 HTR2C (1.00) HTR2CHTR2BHCRTR1MEN1MAPT
Hydrochloric Acid SCHEMBL29440043 0.79 HTR2C (1.00) HTR2CHTR2BHCRTR1MEN1MAPT
SCHEMBL2246120 0.75 POLB (0.75) HTR2CHTR2BHCRTR1MEN1MAPT

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-1075478-B1 PHENYLUREA AND PHENYLTHIO UREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed