SCHEMBL8117697

SCHEMBL8117697

Brc1cccc2cccnc12.O=[N+]([O-])c1ccc(Br)c2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.60
MAPT P10636 13/20 0.58
ALDH1A1 P00352 8/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
KDM4E B2RXH2 3/20 0.58
CTSB P07858 3/20 0.58
LMNA P02545 2/20 0.58
NPC1 O15118 1/20 0.58
BRD4 O60885 1/20 0.58
HSP90AA1 P07900 1/20 0.58
CHRM1 P11229 1/20 0.58
DRD2 P14416 1/20 0.58
ALOX12 P18054 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
CHRM3 P20309 1/20 0.58

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
SCHEMBL31731538 0.93 MAPT (0.67) PDE10AMAPTALDH1A1MEN1KMT2A
SCHEMBL3189942 0.93 MAPT (0.67) PDE10AMAPTALDH1A1MEN1KMT2A
SCHEMBL29777337 0.80 MAPT (0.67) PDE10AMAPTALDH1A1MEN1KMT2A
SCHEMBL5188552 0.80 MAPT (0.67) PDE10AMAPTALDH1A1MEN1KMT2A
SCHEMBL10204048 0.78 PDE10A (0.71) PDE10AMAPTALDH1A1MEN1KMT2A
SCHEMBL28350444 0.77 PDE10A (0.65) PDE10AMAPTALDH1A1MEN1KMT2A
SCHEMBL949962 0.76 PDE10A (1.00) PDE10AMAPTALDH1A1MEN1KMT2A
SCHEMBL29651350 0.76 MAPT (0.69) PDE10AMAPTALDH1A1MEN1KMT2A
SCHEMBL11766895 0.76 MAPT (0.69) PDE10AMAPTALDH1A1MEN1KMT2A
SCHEMBL196509 0.76 LMNA (0.64) PDE10AMAPTMEN1KMT2ASMN1; SMN2

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-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed