SCHEMBL6939611

SCHEMBL6939611

CCCOc1ccc(Cl)nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
CSNK2A1 P68400 2/20 0.39
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
SLC5A2 P31639 1/20 0.36
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL6936975 0.90 NPC1 (0.48) CHRNB2CHRNA4NPC1RECQLRAB9A
SCHEMBL6937171 0.89 SOAT1 (0.44) CHRNB2CHRNA4NPC1RECQLRAB9A
SCHEMBL4269009 0.87 NPC1 (0.45) NPC1RECQLRAB9ACSNK2A1MAPT
SCHEMBL9850722 0.87 SOAT1 (0.47) CHRNB2CHRNA4NPC1RECQLRAB9A
SCHEMBL9850717 0.87 SOAT1 (0.47) CHRNB2CHRNA4NPC1RECQLRAB9A
SCHEMBL9081748 0.87 SOAT1 (0.47) CHRNB2CHRNA4NPC1RECQLRAB9A
SCHEMBL2492398 0.83 HTT (0.45) CHRNB2CHRNA4NPC1MAPTALDH1A1
SCHEMBL13316482 0.82 CHRNB2 (0.41) CHRNB2CHRNA4MAPTALDH1A1GAA
SCHEMBL3510010 0.81 CHRNB2 (0.40) CHRNB2CHRNA4NPC1RECQLRAB9A
SCHEMBL13316483 0.81 CHRNB2 (0.40) CHRNB2CHRNA4NPC1RECQLRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1058681-B1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM CO LTD (KR) 2003-05-07 EP disclosed
EP-1058681-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME Seoul Pharm. Co., Ltd. (KR) 2000-12-13 EP disclosed
US-5942511-A PROTECTION OF HUMAN TISSUE FROM RADIATION Kwon, Soon Kyoung (KR) 1999-08-24 US disclosed
WO-1999036407-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM. CO., LTD. (KR) 1999-07-22 WO disclosed