SCHEMBL9467462

SCHEMBL9467462

Clc1ccc(C2=N[N]C=C2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
BACE1 P56817 2/20 0.33
GRIA2 P42262 1/20 0.33
CASP3 P42574 3/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
GRM5 P41594 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLAU P00749 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTK2 Q05397 1/20 0.30
TGFBR1 P36897 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL31504098 0.73 CCR1 (0.46) CNR2CASP3KDM1AMAOBGRM5
SCHEMBL197456 0.73 CCR1 (0.46) CNR2CASP3KDM1AMAOBGRM5
SCHEMBL3516703 0.73 CYP1A2 (0.39) L3MBTL1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL333232 0.68 KDM4E (0.52) L3MBTL1KDM4EALDH1A1NPC1RAB9A
SCHEMBL23348862 0.66 CASP3 (0.49) CNR2CASP3GRM5ADRA2AADRA2B
SCHEMBL14653549 0.64 CNR2 (0.43) CNR2BACE1GRIA2KDM1AMAOB
SCHEMBL2435338 0.64 MAPT (0.53) CNR2KDM1AMAOBKDM4EALDH1A1
SCHEMBL1686033 0.64 KDM1A (0.49) CNR2KDM1AMAOBL3MBTL1KDM4E
SCHEMBL26598034 0.64 CYP1A2 (0.56) CNR2KDM1AMAOBALDH1A1NPC1
SCHEMBL6028317 0.63 PIM1 (0.49) ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed