SCHEMBL5718211

SCHEMBL5718211

O=C(Cl)Oc1cccnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
KDM1A O60341 1/20 0.46
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX12 P18054 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL23012554 0.86 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKDM1APOLBKDM4E
SCHEMBL5178813 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNAKDM1APOLBKDM4E
SCHEMBL22497146 0.83 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKDM1APOLBKDM4E
SCHEMBL1622556 0.83 KDM4E (0.58) SMN1; SMN2LMNAKDM1APOLBKDM4E
SCHEMBL28121427 0.81 KDM4E (0.56) SMN1; SMN2LMNAKDM1APOLBKDM4E
SCHEMBL445460 0.80 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKDM1APOLBKDM4E
SCHEMBL19459421 0.80 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKDM1APOLBKDM4E
SCHEMBL2828660 0.79 S1PR4 (0.43) SMN1; SMN2LMNAKDM1APOLBKDM4E
SCHEMBL20185613 0.79 ALDH1A1 (0.49) SMN1; SMN2LMNAKDM1APOLBKDM4E
SCHEMBL27690138 0.79 LMNA (0.45) SMN1; SMN2LMNAKDM1APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444205-B1 METHOD FOR PRODUCING 2-HALOGEN-PYRIDINE-CARBOXYLIC ACID AMIDES BASF AG (DE) 2006-02-01 EP disclosed
EP-1444205-A1 METHOD FOR PRODUCING 2-HALOGEN-PYRIDINE-CARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 2004-08-11 EP disclosed
WO-2003037868-A1 METHOD FOR PRODUCING 2-HALOGEN-PYRIDINE-CARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 2003-05-08 WO disclosed
EP-0929524-A1 PYRIDINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND THEIR USE FOR CONTROLLING ANIMAL PESTS AND HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998012179-A1 PYRIDINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND THEIR USE FOR CONTROLLING ANIMAL PESTS AND HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed