SCHEMBL8049566

SCHEMBL8049566

Clc1ccc2c(Nc3ccncc3)c[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.46
GPR84 Q9NQS5 1/20 0.45
GRM4 Q14833 1/20 0.44
TDO2 P48775 1/20 0.42
ADRA2A P08913 1/20 0.42
DYRK1A Q13627 2/20 0.42
NR4A2 P43354 1/20 0.41
GSK3B P49841 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C8 P10632 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL28611191 0.84 GPR84 (0.47) GPR84GRM4NR4A2GAAMAPT
SCHEMBL8056408 0.82 TDO2 (0.48) TGFBR1GPR84TDO2CYP1A2CYP2C8
SCHEMBL8051654 0.78 KIF11 (0.47) DYRK1AGSK3BGAAMAPTJAK2
SCHEMBL5618628 0.78 IMPDH2 (0.53) TGFBR1ADRA2AGAAMAPTATM
SCHEMBL12845523 0.77 GPR84 (0.51) TGFBR1GPR84TDO2DYRK1AGSK3B
SCHEMBL12845601 0.75 GPR84 (0.49) GPR84SLC6A4
SCHEMBL28375689 0.74 GPR84 (0.58) GPR84TDO2DYRK1ANR4A2GSK3B
SCHEMBL7335273 0.73 SPR (0.44) MAPTALDH1A1MEN1KMT2ACYP1A2
Maleic Acid SCHEMBL8049580 0.72 TDO2 (0.54) TGFBR1TDO2ALDH1A1CYP1A2CYP2C8
Fumaric Acid SCHEMBL8049585 0.72 TDO2 (0.54) TGFBR1TDO2ALDH1A1CYP1A2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328920-A Alleviating memory dysfunctions HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-07-12 US claimed
US-6022880-A Substituted pyridylamino indoles HOECHST MARION ROUSSEL, INC. (US) 2000-02-08 US disclosed
US-5328920-A Alleviating memory dysfunctions HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-07-12 US disclosed