SCHEMBL9079882

SCHEMBL9079882

Cn1ccc2cc(NC(=O)Nc3cccc(C(N)=S)c3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
TP53 P04637 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
MAPT P10636 2/20 0.61
CYP2C19 P33261 2/20 0.61
RECQL P46063 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HTR2C P28335 4/20 0.60
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL9081676 0.89 MAPT (0.58) HTR2BMEN1KMT2ATP53CYP1A2
Iodide SCHEMBL9082436 0.87 HTR2B (0.60) HTR2BMEN1KMT2ATP53CYP1A2
SCHEMBL9082855 0.81 HTR2B (0.58) HTR2BMEN1KMT2ATP53CYP1A2
Iodide SCHEMBL9081392 0.81 HTR2B (0.57) HTR2BMEN1KMT2ATP53CYP1A2
SCHEMBL9080615 0.80 HTR2B (0.62) HTR2BMEN1KMT2ATP53CYP1A2
SCHEMBL9081671 0.79 MAPT (0.61) HTR2BMEN1KMT2ATP53CYP1A2
Iodide SCHEMBL9080930 0.78 HTR2B (0.57) HTR2BMEN1KMT2ATP53CYP1A2
SCHEMBL1148605 0.78 HTR2B (0.62) HTR2BMEN1KMT2ATP53CYP1A2
SCHEMBL29757934 0.78 HTR2B (0.58) HTR2BMEN1KMT2ATP53CYP1A2
SCHEMBL13808316 0.78 HTR2B (0.58) HTR2BMEN1KMT2ATP53CYP1A2

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
WO-1996039382-A1 UREA DERIVATIVES AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-12 WO disclosed