SCHEMBL8872008

SCHEMBL8872008

CCOc1cc(C)nc(Cc2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
PDE2A O00408 1/20 0.47
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42
HTR6 P50406 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 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
SCHEMBL10576118 0.75 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNAMAPTTSHR
SCHEMBL11074441 0.73 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTTSHR
SCHEMBL30215796 0.73 PDE2A (0.71) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL5504260 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNATSHRPOLB
SCHEMBL23473250 0.72 TSHR (0.49) SMN1; SMN2ALDH1A1LMNAMAPTTSHR
SCHEMBL13012202 0.70 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTTSHR
SCHEMBL5509046 0.70 TAAR1 (0.45) SMN1; SMN2ALDH1A1POLBKMT2AGAA
SCHEMBL2616794 0.69 L3MBTL1 (0.47) SMN1; SMN2ALDH1A1LMNATSHRMEN1
SCHEMBL8273082 0.69 L3MBTL1 (0.56) SMN1; SMN2ALDH1A1LMNAMAPTPOLB
SCHEMBL11815651 0.69 BRD4 (0.46) SMN1; SMN2ALDH1A1NPC1MAPK1RAB9A

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
US-5599770-A WEED CONTROL; INCLUDING AN ADJUVANT KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-02-04 US disclosed
EP-0692477-A1 Herbicidal compositions containing 2-benzyloxypyrimidine derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-17 EP disclosed