SCHEMBL7708883

SCHEMBL7708883

c1ccc(-c2nc3cc(-c4ccncc4)ccn3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.56
KDR P35968 2/20 0.50
AHR P35869 1/20 0.48
NOTUM Q6P988 1/20 0.46
TDP2 O95551 2/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NAMPT P43490 1/20 0.40

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
SCHEMBL11475282 0.79 CYP11B2 (0.53) PDE10AAHRNOTUMSMN1; SMN2NAMPT
SCHEMBL9106396 0.78 AHR (0.50) PDE10AAHRDYRK1ACYP11B1CYP11B2
SCHEMBL19041650 0.77 CYP11B2 (0.48) PDE10AKDRAHRNOTUMLMNA
SCHEMBL15173331 0.76 PDE10A (0.53) PDE10AAHRTDP2LMNASMN1; SMN2
SCHEMBL9104569 0.76 PDE10A (0.54) PDE10AAHRMEN1LMNAKMT2A
SCHEMBL19167338 0.76 PDE10A (0.60) PDE10AAHRSMN1; SMN2NPC1MAPT
SCHEMBL15173097 0.76 PDE10A (0.53) PDE10AAHRTDP2MEN1USP2
SCHEMBL9107248 0.76 AHR (0.79) PDE10AAHRNPC1RAB9ADHODH
Hydrochloric Acid SCHEMBL16341275 0.75 PDE10A (0.53) PDE10AAHRMEN1LMNAKMT2A
SCHEMBL20157092 0.74 ADORA3 (0.47) PDE10AAHRMEN1USP2LMNA

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
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed