SCHEMBL8178995

SCHEMBL8178995

CN(C)c1ccc(C=CC=C2SC(=S)NC2=S)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
METAP1 P53582 2/20 0.55
APP P05067 7/20 0.50
MAPT P10636 7/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 4/20 0.49
THRB P10828 4/20 0.49
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
NPC1 O15118 3/20 0.49
RECQL P46063 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
PSMD14 O00487 2/20 0.49
PKM P14618 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALPG P10696 1/20 0.49
SNCA P37840 3/20 0.44

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
SCHEMBL15347480 0.86 CRHBP (0.72) CRHBPCRHR2METAP1APPMAPT
SCHEMBL15347679 0.86 CRHBP (0.72) CRHBPCRHR2METAP1APPMAPT
SCHEMBL12892048 0.86 CRHBP (0.72) CRHBPCRHR2METAP1APPMAPT
SCHEMBL24991948 0.83 CRHBP (0.73) CRHBPCRHR2MEN1KMT2ANPC1
SCHEMBL1249305 0.75 PIM1 (0.72) CRHBPCRHR2METAP1APPMAPT
SCHEMBL12892017 0.75 PIM1 (0.72) CRHBPCRHR2METAP1APPMAPT
SCHEMBL8171975 0.72 GSK3B (0.60) APPMEN1KMT2ATDP1PIM1
SCHEMBL194558 0.72 CRHBP (1.00) CRHBPCRHR2MEN1KMT2ANPC1
SCHEMBL194557 0.72 CRHBP (1.00) CRHBPCRHR2MEN1KMT2ANPC1
SCHEMBL1249935 0.72 CRHBP (1.00) CRHBPCRHR2MEN1KMT2ANPC1

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-2000018748-A1 RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed