SCHEMBL6617543

SCHEMBL6617543

CC(C)(C)C(=NO)Nc1ccc(Cl)nn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 6/20 0.36
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
BLM P54132 1/20 0.35
CASP6 P55212 1/20 0.35
GFER P55789 1/20 0.35
KLF5 Q13887 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL1243539 0.83 GAA (0.43) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL18247832 0.77 GAA (0.47) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL18247830 0.77 GAA (0.47) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL18256197 0.77 GAA (0.47) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL5591663 0.76 L3MBTL1 (0.47) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL29442854 0.70 LMNA (0.53) GAAALDH1A1MAPTLMNAPOLB
SCHEMBL3152711 0.69 PTK2 (0.55) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL6881076 0.69 RAB9A (0.34) ALDH1A1MAPTRAB9ANPC1LMNA
SCHEMBL12883372 0.69 MAPT (0.54) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL15201093 0.67 MAPT (0.52) GAAALDH1A1MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979231-B1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-11-24 EP disclosed
EP-1123936-B1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-12-10 EP disclosed
US-6627630-B1 Preventing or treating allergic skin diseases such as contact dermatitis, pruritus, dried dermatitis, acute urticaria prurigo and antiallergins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1243271-A1 NASAL DROPS CONTAINING FUSED PYRIDAZINE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
EP-1123936-A1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed
US-6248740-B1 FOR SUPPRESSION OF HISTAMINE OR EOSINOPHIL CHEMOTAXIS TO TREAT ASTHMA; ANTIALLERGENIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0979231-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998049167-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed