SCHEMBL9752587

SCHEMBL9752587

c1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.60
TGFBR1 P36897 3/20 0.54
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 2/20 0.46
CYP1A2 P05177 1/20 0.46
BCHE P06276 1/20 0.46
CFTR P13569 1/20 0.46
ALOX15 P16050 1/20 0.46
ACHE P22303 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
GOPC Q9HD26 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL11485609 0.92 TGFBR1 (0.57) PDE10ATGFBR1ALDH1A1KMT2AMEN1
SCHEMBL11474630 0.88 HPGD (0.54) PDE10ATGFBR1ALDH1A1KMT2AMEN1
SCHEMBL7378515 0.86 TGFBR1 (0.65) PDE10ATGFBR1KDM4ESMN1; SMN2HSD17B10
SCHEMBL9199906 0.86 PDE10A (0.57) PDE10ATGFBR1ALDH1A1KMT2AMEN1
SCHEMBL9297972 0.86 PDE10A (0.57) PDE10ATGFBR1ALDH1A1KMT2AMEN1
SCHEMBL7343693 0.86 TGFBR1 (0.65) PDE10ATGFBR1KDM4ESMN1; SMN2HSD17B10
Bromide SCHEMBL9699922 0.85 PDE10A (0.56) PDE10ATGFBR1ALDH1A1KMT2AMEN1
SCHEMBL7381132 0.82 TGFBR1 (0.67) PDE10ATGFBR1ALDH1A1KMT2AKDM4E
SCHEMBL7352490 0.82 PDE10A (0.60) PDE10ATGFBR1KDM4ENPC1RAB9A
SCHEMBL7377231 0.82 PDE10A (0.60) PDE10ATGFBR1KDM4ENPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411754-A2 Medicament for the inhibition of interleukin-1 or tumor necrosis factor production by monocytes and/or macrophages SMITHKLINE BEECHAM CORPORATION (US) 1991-02-06 EP disclosed
WO-1991000092-A1 INHIBITION OF INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR PRODUCTION BY MONOCYTES AND/OR MACROPHAGES SMITHKLINE BEECHAM CORPORATION (US) 1991-01-10 WO disclosed