SCHEMBL4785899

SCHEMBL4785899

CCCCNc1ccccc1-c1ccccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
BCAT2 O15382 1/20 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
SCHEMBL14577687 0.88 TSHR (0.53) TSHRHTTMEN1NR1I2LMNA
SCHEMBL648231 0.83 CNR2 (0.55) TSHRHTTMEN1NR1I2LMNA
SCHEMBL7590166 0.82 CNR2 (0.56) TSHRHTTMEN1NR1I2LMNA
SCHEMBL1825731 0.79 CNR2 (0.49) TSHRHTTMEN1NR1I2LMNA
SCHEMBL16043385 0.79 BRD4 (0.63) L3MBTL1CNR2
SCHEMBL5392212 0.78 KDM4E (0.58) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL1926387 0.77 L3MBTL1 (0.48) HTTLMNACHRM2MAPTL3MBTL1
SCHEMBL3848855 0.77 SMN1; SMN2 (0.64) TSHRMEN1NR1I2LMNACHRM2
SCHEMBL2731963 0.77 CNR2 (0.52) TSHRHTTMEN1NR1I2LMNA
SCHEMBL993102 0.76 HPGD (0.65) TSHRHTTHPGDL3MBTL1CYP2C9

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-2008084218-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed